Products 2468971-42-6

CAS 2468971-42-6 is the registry number for MD01-67. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(2S)-2-[[(2S)-2-[[(2S,5S,8S,13S)-13-amino-2,5-bis(4-aminobutyl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-cyclopentylpropanoic acid (CAS 2468971-42-6) is a chemical compound with the molecular formula C37H58N8O8 and a molecular weight of 742.9 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S,5S,8S,13S)-13-amino-2,5-bis(4-aminobutyl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-cyclopentylpropanoic acid. InChIKey: NMDINTPQFLERGW-HPMAGDRPSA-N.

Identity
Molecular formulaC37H58N8O8
Molecular weight742.9 g/mol
IUPAC name(2S)-2-[[(2S)-2-[[(2S,5S,8S,13S)-13-amino-2,5-bis(4-aminobutyl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-cyclopentylpropanoic acid
InChIKeyNMDINTPQFLERGW-HPMAGDRPSA-N
SMILESC1CCC(C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]3CC=CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCCCN)CCCCN)N

Computed by PubChem (NCBI)

Synonyms: orb2802020