Citropeptin

HCID 6444166

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Basic information

CAS: 128554-13-2
Standard SMILES: C/C=C(\C)C(=O)C(C)/C=C(\C)C1OC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)N(C)C(CC(C)C)C(=O)N3NCCCC3C(=O)NC(C(C)O)C(=O)OC2C(C)C)CCC1C
InChIKey: HHBCEPSFYPJHIF-AIRRWTJMSA-N
Molecular formula: C50H82N8O15
Average molar mass: 1,035.2 g/mol
Monoisotopic mass: 1,034.58996394

Overview

Citropeptin has been reported in Streptomyces flavidovirens with data available.

Names & identifiers

Preferred name: Citropeptin
IUPAC: 2-[6-[(2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]propanamide
English name: citropeptin
Molecular formula: C50H82N8O15
Molecular weight: 1035.24

Names & synonyms

Citropeptin128554-13-22-[6-[(2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]propanamide2-(6-((2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl)-2-hydroxy-5-methyloxan-2-yl)-2-hydroxy-N-(7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo(21.4.0.09,14)heptacosan-16-yl)propanamideRefChem:126602

Database identifiers

CAS: 128554-13-2
PubChem CID: 6444166

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 306 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 17
Rotatable bonds: 13
Heavy atoms: 73
Formal charge: 0
Complexity: 2,100

Chemistry & industry

Applications

DescriptionCitropeptin is a cyclic hexadepsipeptide antibiotic that showed antitumor activity against P388 murine leukemia.

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Compound notes

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