3-[(2-azanyl-4-methyl-pentanoyl)-(2-phenylethanoyl)amino]-4-[1-(2-azanyl-3-phenyl-propanoyl)-2-[4-(carboxymethyl)piperazin-1-yl]carbonyl-pyrrolidin-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-4-methyl-pentanoyl)-(2-phenylethanoyl)amino]-4-[1-(2-azanyl-3-phenyl-propanoyl)-2-[4-(carboxymethyl)piperazin-1-yl]carbonyl-pyrrolidin-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-4-methyl-pentanoyl)-(2-phenylacetyl)amino]-4-[1-(2-amino-3-phenyl-propanoyl)-2-[4-(carboxymethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-4-methyl-1-oxopentyl)-(1-oxo-2-phenylethyl)amino]-4-[1-(2-amino-1-oxo-3-phenylpropyl)-2-[[4-(carboxymethyl)-1-piperazinyl]-oxomethyl]-2-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-4-methylpentanoyl)-(2-phenylacetyl)amino]-4-[1-(2-amino-3-phenylpropanoyl)-2-[4-(carboxymethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]-4-oxobutanoic acid Traditional Name: 3-[(2-amino-4-methyl-pentanoyl)-(2-phenylacetyl)amino]-4-[2-[4-(carboxymethyl)piperazine-1-carbonyl]-1-phenylalanyl-pyrrolidin-2-yl]-4-keto-butyric acid Formula: C38H50N6O9 MolecularWeight: 734.8384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC(=O)O)C(=O)C1(CCCN1C(=O)C(CC2=CC=CC=C2)N)C(=O)N3CCN(CC3)CC(=O)O)C(=O)CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC(=O)O)C(=O)C1(CCCN1C(=O)C(CC2=CC=CC=C2)N)C(=O)N3CCN(CC3)CC(=O)O)C(=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C38H50N6O9/c1-25(2)20-28(39)36(52)44(31(45)22-27-12-7-4-8-13-27)30(23-32(46)47)34(50)38(37(53)42-18-16-41(17-19-42)24-33(48)49)14-9-15-43(38)35(51)29(40)21-26-10-5-3-6-11-26/h3-8,10-13,25,28-30H,9,14-24,39-40H2,1-2H3,(H,46,47)(H,48,49)