Mrv1652309032213222D 41 41 0 0 1 0 999 V2000 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.3000 0.0000 O 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 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 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 2.8579 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 2 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 0.7145 -2.0625 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 -2.0625 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 -1.4289 -0.8250 0.0000 O 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 0.7145 -1.2375 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 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -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 7.1447 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 4 0 0 0 10 12 2 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 16 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 21 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 25 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 18 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 13 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > NP0174150 > NP-MRD > CCCCC[C@@H](N)[C@@H](O)C(O)=N[C@H](C(C)C)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N(C)[C@H](CC1=CC=C(O)C=C1)C(O)=O > InChI=1S/C30H50N4O7/c1-8-10-11-12-22(31)26(36)27(37)32-24(18(3)4)28(38)34(7)25(19(5)9-2)29(39)33(6)23(30(40)41)17-20-13-15-21(35)16-14-20/h13-16,18-19,22-26,35-36H,8-12,17,31H2,1-7H3,(H,32,37)(H,40,41)/t19-,22-,23-,24-,25-,26-/m1/s1 > UDNHSOSLMVFALQ-GDBHKVHBSA-N > C30H50N4O7 > 578.751 > 578.367949966 > 9 > 91 > 62.74687603257769 > 0 > 5 > 0 > 0 > (2R)-2-[(2R,3R)-2-[(2R)-2-{[(2R,3R)-3-amino-1,2-dihydroxyoctylidene]amino}-N,3-dimethylbutanamido]-N,3-dimethylpentanamido]-3-(4-hydroxyphenyl)propanoic acid > 0.64 > 1.2210693927879162 > -4.22 > 0 > 1 > 0 > 3.8888112658819525 > 3.2539528250997103 > 10.095230790464806 > 176.98999999999998 > 156.18620000000007 > 17 > 0 > 3.51e-02 g/l > (2R)-2-[(2R,3R)-2-[(2R)-2-{[(2R,3R)-3-amino-1,2-dihydroxyoctylidene]amino}-N,3-dimethylbutanamido]-N,3-dimethylpentanamido]-3-(4-hydroxyphenyl)propanoic acid > 0 > NP0174150 > (2r)-2-[(2r,3r)-2-[(2r)-2-{[(2r,3r)-3-amino-1,2-dihydroxyoctylidene]amino}-n,3-dimethylbutanamido]-n,3-dimethylpentanamido]-3-(4-hydroxyphenyl)propanoic acid $$$$