(3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-(3-phenylpropanoyloxy)pentanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-(3-phenylpropanoyloxy)pentanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpropanoyloxy)pentanoic acid CAS Name: (3S)-4-oxo-5-(1-oxo-3-phenylpropoxy)-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-5-(3-phenylpropanoyloxy)pentanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-5-hydrocinnamoyloxy-4-keto-valeric acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23NO7/c24-19(15-29-21(27)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)(H,25,26)/t18-/m0/s1