(phenylmethyl) 2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O5S/c1-20(2)16-24(30-26(33)23(29-19-32)14-15-37-3)27(34)31-25(17-21-10-6-4-7-11-21)28(35)36-18-22-12-8-5-9-13-22/h4-13,19-20,23-25H,14-18H2,1-3H3,(H,29,32)(H,30,33)(H,31,34)