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

Systemtic Name: (phenylmethyl) (3S)-4-(benzotriazol-1-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl (3S)-4-(benzotriazol-1-yl)-3-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(1-benzotriazolyl)-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(benzotriazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-(benzotriazol-1-yl)-3-(benzyloxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O5/c30-23(33-16-18-9-3-1-4-10-18)15-21(26-25(32)34-17-19-11-5-2-6-12-19)24(31)29-22-14-8-7-13-20(22)27-28-29/h1-14,21H,15-17H2,(H,26,32)/t21-/m0/s1