(phenylmethyl) 5-(benzotriazol-1-yl)-5-oxidanylidene-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) 5-(benzotriazol-1-yl)-5-oxidanylidene-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: benzyl 5-(benzotriazol-1-yl)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-oxo-pentanoate CAS Name: 5-(1-benzotriazolyl)-5-oxo-4-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(benzotriazol-1-yl)-5-oxo-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 5-(benzotriazol-1-yl)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-keto-valeric acid benzyl ester Formula: C35H33N5O6 MolecularWeight: 619.66642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)N3C4=CC=CC=C4N=N3)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)N3C4=CC=CC=C4N=N3)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H33N5O6/c41-32(45-23-26-14-6-2-7-15-26)21-20-29(34(43)40-31-19-11-10-18-28(31)38-39-40)36-33(42)30(22-25-12-4-1-5-13-25)37-35(44)46-24-27-16-8-3-9-17-27/h1-19,29-30H,20-24H2,(H,36,42)(H,37,44)