Cryptophycin 40

HCID 10699331

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Basic information

CAS: 168482-41-5
Standard SMILES: COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChIKey: AQLHQIPWEIVGRR-IPGIDAFISA-N
Molecular formula: C34H41ClN2O8
Average molar mass: 641.1 g/mol
Monoisotopic mass: 640.255144

Overview

Cryptophycin-40 is a peptide.

Names & identifiers

Preferred name: Cryptophycin 40
IUPAC: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[[(2R,3R)-3-phenyloxiran-2-yl]methyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Names & synonyms

Cryptophycin 40Cryptophycin-40RefChem:128629SCHEMBL31294658CHEBI:224516DTXSID201046500168482-41-5(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[[(2R,3R)-3-phenyloxiran-2-yl]methyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Database identifiers

CAS: 168482-41-5
PubChem CID: 10699331
DTXSID: DTXSID201046500
ChEBI: CHEBI:224516

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 45
Formal charge: 0
Complexity: 1,050

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