(E)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]but-2-enoic acid

Systemtic Name: (E)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]but-2-enoic acid Openeye Name: (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]but-2-enoic acid CAS Name: (E)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-butenoic acid IUPAC Name: (E)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]but-2-enoic acid Traditional Name: (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]but-2-enoic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-4-13(16(21)22)18-15(20)14(11(2)3)19-17(23)24-10-12-8-6-5-7-9-12/h4-9,11,14H,10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/b13-4+/t14-/m0/s1