(2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-3-hydroxy-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-hydroxy-propionic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-10(2)13(14(20)17-12(8-19)15(21)22)18-16(23)24-9-11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3,(H,17,20)(H,18,23)(H,21,22)/t12-,13?/m0/s1