(phenylmethyl) 2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid benzyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C27H37N3O4S/c1-4-19(2)24(28)26(32)30-23(17-20-11-7-5-8-12-20)25(31)29-22(15-16-35-3)27(33)34-18-21-13-9-6-10-14-21/h5-14,19,22-24H,4,15-18,28H2,1-3H3,(H,29,31)(H,30,32)