(3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-oxo-4-(3-pyridylmethylamino)butanoic acid CAS Name: (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-(3-pyridinylmethylamino)butanoic acid IUPAC Name: (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-4-(3-pyridylmethylamino)butyric acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H19N3O5/c22-16(23)9-15(17(24)20-11-14-7-4-8-19-10-14)21-18(25)26-12-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1