(4S)-5-oxidanylidene-5-[(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)amino]-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (4S)-5-oxidanylidene-5-[(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)amino]-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (4S)-4-(benzyloxycarbonylamino)-5-(1-carboxyvinylamino)-5-oxo-pentanoic acid CAS Name: (4S)-5-[(3-hydroxy-3-oxoprop-1-en-2-yl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (4S)-5-[(3-hydroxy-3-oxoprop-1-en-2-yl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-(1-carboxyvinylamino)-5-keto-valeric acid Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7/c1-10(15(22)23)17-14(21)12(7-8-13(19)20)18-16(24)25-9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2,(H,17,21)(H,18,24)(H,19,20)(H,22,23)/t12-/m0/s1