Cryptophycin 28

HCID 10508182

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 168482-39-1
Standard SMILES: COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChIKey: YMZVKVLSUBCSND-DWEOSBBHSA-N
Molecular formula: C34H41ClN2O7
Average molar mass: 625.1 g/mol
Monoisotopic mass: 624.2602293

Names & identifiers

Preferred name: Cryptophycin 28
IUPAC: (3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-3-phenylprop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Names & synonyms

Cryptophycin 28Cryptophycin-28(3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-3-phenylprop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone(3S,6R,10R,13E,16R)-10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-((E)-3-phenylprop-2-enyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneRefChem:128622CHEMBL266856SCHEMBL29884224CHEBI:217640YMZVKVLSUBCSND-DWEOSBBHSA-NDTXSID301046177168482-39-1

Database identifiers

CAS: 168482-39-1
PubChem CID: 10508182
DTXSID: DTXSID301046177
ChEMBL: CHEMBL266856
ChEBI: CHEBI:217640

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 1,010

Related reactions

2 records

New reaction record

HRID 618580As productuspto-grants-1999_09

HRID 849812As productuspto-grants-2000_01

Compound notes

Loading…