Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 00:19:05 UTC |
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Updated at | 2022-09-11 00:19:05 UTC |
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NP-MRD ID | NP0307291 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3s,6r,10r,13e,16r)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(2e)-3-phenylprop-2-en-1-yl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione |
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Description | Cryptophycin 28 belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on Cryptophycin 28. |
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Structure | COC1=CC=C(C[C@H]2N=C(O)\C=C\C[C@@H](C\C=C\C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CN=C2O)C=C1Cl InChI=1S/C34H41ClN2O7/c1-22(2)18-30-34(41)43-26(13-8-12-24-10-6-5-7-11-24)14-9-15-31(38)37-28(32(39)36-21-23(3)33(40)44-30)20-25-16-17-29(42-4)27(35)19-25/h5-12,15-17,19,22-23,26,28,30H,13-14,18,20-21H2,1-4H3,(H,36,39)(H,37,38)/b12-8+,15-9+/t23-,26-,28-,30+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C34H41ClN2O7 |
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Average Mass | 625.1600 Da |
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Monoisotopic Mass | 624.26023 Da |
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IUPAC Name | (3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(2E)-3-phenylprop-2-en-1-yl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione |
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Traditional Name | (3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[(2E)-3-phenylprop-2-en-1-yl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C(C[C@H]2N=C(O)\C=C\C[C@@H](C\C=C\C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CN=C2O)C=C1Cl |
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InChI Identifier | InChI=1S/C34H41ClN2O7/c1-22(2)18-30-34(41)43-26(13-8-12-24-10-6-5-7-11-24)14-9-15-31(38)37-28(32(39)36-21-23(3)33(40)44-30)20-25-16-17-29(42-4)27(35)19-25/h5-12,15-17,19,22-23,26,28,30H,13-14,18,20-21H2,1-4H3,(H,36,39)(H,37,38)/b12-8+,15-9+/t23-,26-,28-,30+/m1/s1 |
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InChI Key | YMZVKVLSUBCSND-DWEOSBBHSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Peptidomimetics |
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Sub Class | Hybrid peptides |
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Direct Parent | Hybrid peptides |
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Alternative Parents | |
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Substituents | - Cyclic hybrid peptide
- Macrolactam
- Macrolide
- Alpha-amino acid or derivatives
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Styrene
- Alkyl aryl ether
- Halobenzene
- Chlorobenzene
- Aryl chloride
- Aryl halide
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Benzenoid
- Carboxamide group
- Lactone
- Carboxylic acid ester
- Lactam
- Secondary carboxylic acid amide
- Oxacycle
- Azacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Ether
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organochloride
- Organohalogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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