methyl (2S,3R)-2-[[acetamido-(phenylmethyl)carbamoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3R)-2-[[acetamido-(phenylmethyl)carbamoyl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S,3R)-2-[[acetamido(benzyl)carbamoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[acetamido-(phenylmethyl)amino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[[acetamido(benzyl)carbamoyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[acetamido(benzyl)carbamoyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N(CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)N(CC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C17H25N3O4/c1-5-12(2)15(16(22)24-4)18-17(23)20(19-13(3)21)11-14-9-7-6-8-10-14/h6-10,12,15H,5,11H2,1-4H3,(H,18,23)(H,19,21)/t12-,15+/m1/s1