methyl (3S)-4-(benzotriazol-1-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (3S)-4-(benzotriazol-1-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (3S)-4-(benzotriazol-1-yl)-3-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(1-benzotriazolyl)-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(benzotriazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-(benzotriazol-1-yl)-3-(benzyloxycarbonylamino)-4-keto-butyric acid methyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)N1C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H](C(=O)N1C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O5/c1-27-17(24)11-15(20-19(26)28-12-13-7-3-2-4-8-13)18(25)23-16-10-6-5-9-14(16)21-22-23/h2-10,15H,11-12H2,1H3,(H,20,26)/t15-/m0/s1