Products 130582-10-4

CAS 130582-10-4 is the registry number for JMV-320. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(3S)-3-[[(5S,8S,23S)-23-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(1H-indol-3-ylmethyl)-3,6,14,17,24-pentaoxo-1,4,7,13,18-pentazacyclotetracosane-8-carbonyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (CAS 130582-10-4) is a chemical compound with the molecular formula C53H67N11O13 and a molecular weight of 1066.2 g/mol. IUPAC name: (3S)-3-[[(5S,8S,23S)-23-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(1H-indol-3-ylmethyl)-3,6,14,17,24-pentaoxo-1,4,7,13,18-pentazacyclotetracosane-8-carbonyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid. InChIKey: CDEXDQIEKQQZDF-KHVQSSSXSA-N.

Identity
Molecular formulaC53H67N11O13
Molecular weight1066.2 g/mol
IUPAC name(3S)-3-[[(5S,8S,23S)-23-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(1H-indol-3-ylmethyl)-3,6,14,17,24-pentaoxo-1,4,7,13,18-pentazacyclotetracosane-8-carbonyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChIKeyCDEXDQIEKQQZDF-KHVQSSSXSA-N
SMILESCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)CNC2=O)CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

Computed by PubChem (NCBI)