(2S)-3-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-[benzyloxycarbonyl(methyl)amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-[carbobenzoxy(methyl)amino]acetyl]amino]-3-methyl-butyric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-11(2)14(15(20)21)17-13(19)9-18(3)16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,17,19)(H,20,21)/t14-/m0/s1