Alterochromide B

HCID 178975673

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Basic information

Standard SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/c2ccc(O)cc2)[C@@H](C)OC1=O
InChIKey: NRENFEWSRZCNTG-UIRCOVLUSA-N
Molecular formula: C40H53N7O10
Average molar mass: 791.9 g/mol
Monoisotopic mass: 791.3853909

Overview

Alterochromide B is a cyclodepsipeptide.

Names & identifiers

Preferred name: Alterochromide B
IUPAC: (2E,4E,6E,8E,10E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide

Names & synonyms

Alterochromide BCHEBI:218586(2E,4E,6E,8E,10E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide

Database identifiers

ChEBI: CHEBI:218586

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 278 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 14
Heavy atoms: 57
Formal charge: 0
Complexity: 1,600

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Compound notes

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