(phenylmethyl) (2S,3S)-3-methyl-2-[(3-methyl-2-oxidanylidene-butanoyl)amino]pentanoate

Systemtic Name: (phenylmethyl) (2S,3S)-3-methyl-2-[(3-methyl-2-oxidanylidene-butanoyl)amino]pentanoate Openeye Name: benzyl (2S,3S)-3-methyl-2-[(3-methyl-2-oxo-butanoyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[(3-methyl-1,2-dioxobutyl)amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-methyl-2-[(3-methyl-2-oxobutanoyl)amino]pentanoate Traditional Name: (2S,3S)-2-[(2-keto-3-methyl-butanoyl)amino]-3-methyl-valeric acid benzyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(=O)C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(=O)C(C)C

InChI

InChI=1S/C18H25NO4/c1-5-13(4)15(19-17(21)16(20)12(2)3)18(22)23-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)/t13-,15-/m0/s1