(phenylmethyl) (2S)-5-(benzotriazol-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-(benzotriazol-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2S)-5-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)-5-oxo-pentanoate CAS Name: (2S)-5-(1-benzotriazolyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-(benzotriazol-1-yl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-5-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)-5-keto-valeric acid benzyl ester Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O5/c31-24(30-23-14-8-7-13-21(23)28-29-30)16-15-22(25(32)34-17-19-9-3-1-4-10-19)27-26(33)35-18-20-11-5-2-6-12-20/h1-14,22H,15-18H2,(H,27,33)/t22-/m0/s1