Showing NP-Card for Pentasine (NP0337085)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 09:12:45 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 09:12:45 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0337085 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Pentasine | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0337085 (Pentasine)Mrv2104 05262311442D 46 46 0 0 0 0 999 V2000 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 7 2 0 0 0 0 14 2 1 0 0 0 0 17 4 1 0 0 0 0 17 5 1 0 0 0 0 17 7 1 0 0 0 0 18 6 1 0 0 0 0 18 15 2 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 19 15 1 0 0 0 0 20 3 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 25 19 2 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 24 1 0 0 0 0 36 14 1 0 0 0 0 36 16 2 0 0 0 0 36 25 1 0 0 0 0 37 26 2 0 0 0 0 38 26 1 0 0 0 0 39 27 2 0 0 0 0 40 27 1 0 0 0 0 41 28 2 0 0 0 0 42 28 1 0 0 0 0 43 29 2 0 0 0 0 44 29 1 0 0 0 0 45 30 2 0 0 0 0 46 30 1 0 0 0 0 M CHG 1 36 1 M END 3D SDF for NP0337085 (Pentasine)Mrv2104 05262311442D 46 46 0 0 0 0 999 V2000 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 7 2 0 0 0 0 14 2 1 0 0 0 0 17 4 1 0 0 0 0 17 5 1 0 0 0 0 17 7 1 0 0 0 0 18 6 1 0 0 0 0 18 15 2 0 0 0 0 18 16 1 0 0 0 0 19 8 1 0 0 0 0 19 15 1 0 0 0 0 20 3 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 25 19 2 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 24 1 0 0 0 0 36 14 1 0 0 0 0 36 16 2 0 0 0 0 36 25 1 0 0 0 0 37 26 2 0 0 0 0 38 26 1 0 0 0 0 39 27 2 0 0 0 0 40 27 1 0 0 0 0 41 28 2 0 0 0 0 42 28 1 0 0 0 0 43 29 2 0 0 0 0 44 29 1 0 0 0 0 45 30 2 0 0 0 0 46 30 1 0 0 0 0 M CHG 1 36 1 M END > <DATABASE_ID> NP0337085 > <DATABASE_NAME> NP-MRD > <SMILES> NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O > <INCHI_IDENTIFIER> InChI=1/C30H48N6O10/c31-20(26(37)38)3-1-2-14-36-16-18(6-11-23(34)29(43)44)15-19(8-12-24(35)30(45)46)25(36)13-7-17(4-9-21(32)27(39)40)5-10-22(33)28(41)42/h7,13,15-17,20-24H,1-6,8-12,14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b13-7+ > <INCHI_KEY> OQTAHGSASYCZIY-NTUHNPAUNA-O > <FORMULA> C30H49N6O10 > <MOLECULAR_WEIGHT> 653.753 > <EXACT_MASS> 653.350468222 > <JCHEM_ACCEPTOR_COUNT> 15 > <JCHEM_ATOM_COUNT> 95 > <JCHEM_AVERAGE_POLARIZABILITY> 69.04859725518936 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 10 > <JCHEM_FORMAL_CHARGE> 1 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[(1E)-6-amino-3-(3-amino-3-carboxypropyl)-6-carboxyhex-1-en-1-yl]-3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium > <JCHEM_LOGP> -11.460902363989167 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA> 1.5145769402081313 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.0074401689077506 > <JCHEM_PKA_STRONGEST_BASIC> 10.003211334597532 > <JCHEM_POLAR_SURFACE_AREA> 320.47999999999996 > <JCHEM_REFRACTIVITY> 166.81380000000016 > <JCHEM_ROTATABLE_BOND_COUNT> 24 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 2-[(1E)-6-amino-3-(3-amino-3-carboxypropyl)-6-carboxyhex-1-en-1-yl]-3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0337085 (Pentasine)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.334 6.930 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.334 6.930 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.334 8.470 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.334 8.470 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 0.000 6.160 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 9.336 2.310 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.667 9.240 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.667 9.240 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 10.669 1.540 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.667 10.780 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.667 10.780 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.335 1.540 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 9.336 3.850 0.000 0.00 0.00 N+0 HETATM 32 N UNK 0 -4.001 8.470 0.000 0.00 0.00 N+0 HETATM 33 N UNK 0 4.001 8.470 0.000 0.00 0.00 N+0 HETATM 34 N UNK 0 1.334 -5.390 0.000 0.00 0.00 N+0 HETATM 35 N UNK 0 -4.001 3.850 0.000 0.00 0.00 N+0 HETATM 36 N UNK 0 2.667 1.540 0.000 0.00 0.00 N+1 HETATM 37 O UNK 0 12.003 2.310 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 10.669 0.000 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -4.001 11.550 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -1.334 11.550 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 1.334 11.550 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 4.001 11.550 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 4.001 -6.930 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 -5.335 0.000 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -6.668 2.310 0.000 0.00 0.00 O+0 CONECT 1 2 3 CONECT 2 1 14 CONECT 3 1 20 CONECT 4 9 17 CONECT 5 10 17 CONECT 6 11 18 CONECT 7 13 17 CONECT 8 12 19 CONECT 9 4 21 CONECT 10 5 22 CONECT 11 6 23 CONECT 12 8 24 CONECT 13 7 25 CONECT 14 2 36 CONECT 15 18 19 CONECT 16 18 36 CONECT 17 4 5 7 CONECT 18 6 15 16 CONECT 19 8 15 25 CONECT 20 3 26 31 CONECT 21 9 27 32 CONECT 22 10 28 33 CONECT 23 11 29 34 CONECT 24 12 30 35 CONECT 25 13 19 36 CONECT 26 20 37 38 CONECT 27 21 39 40 CONECT 28 22 41 42 CONECT 29 23 43 44 CONECT 30 24 45 46 CONECT 31 20 CONECT 32 21 CONECT 33 22 CONECT 34 23 CONECT 35 24 CONECT 36 14 16 25 CONECT 37 26 CONECT 38 26 CONECT 39 27 CONECT 40 27 CONECT 41 28 CONECT 42 28 CONECT 43 29 CONECT 44 29 CONECT 45 30 CONECT 46 30 MASTER 0 0 0 0 0 0 0 0 46 0 92 0 END SMILES for NP0337085 (Pentasine)NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O INCHI for NP0337085 (Pentasine)InChI=1/C30H48N6O10/c31-20(26(37)38)3-1-2-14-36-16-18(6-11-23(34)29(43)44)15-19(8-12-24(35)30(45)46)25(36)13-7-17(4-9-21(32)27(39)40)5-10-22(33)28(41)42/h7,13,15-17,20-24H,1-6,8-12,14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b13-7+ 3D Structure for NP0337085 (Pentasine) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C30H49N6O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 653.7530 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 653.35047 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(1E)-6-amino-3-(3-amino-3-carboxypropyl)-6-carboxyhex-1-en-1-yl]-3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 2-[(1E)-6-amino-3-(3-amino-3-carboxypropyl)-6-carboxyhex-1-en-1-yl]-3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C30H48N6O10/c31-20(26(37)38)3-1-2-14-36-16-18(6-11-23(34)29(43)44)15-19(8-12-24(35)30(45)46)25(36)13-7-17(4-9-21(32)27(39)40)5-10-22(33)28(41)42/h7,13,15-17,20-24H,1-6,8-12,14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1/b13-7+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | OQTAHGSASYCZIY-NTUHNPAUNA-O | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References | Not Available |