(phenylmethyl) 4-(benzotriazol-1-yl)-3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(benzotriazol-1-yl)-3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-(benzotriazol-1-yl)-3-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-oxo-butanoate CAS Name: 4-(1-benzotriazolyl)-3-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(benzotriazol-1-yl)-3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxobutanoate Traditional Name: 4-(benzotriazol-1-yl)-3-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-keto-butyric acid benzyl ester Formula: C30H31N5O6 MolecularWeight: 557.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N5O6/c1-20(2)27(32-30(39)41-19-22-13-7-4-8-14-22)28(37)31-24(17-26(36)40-18-21-11-5-3-6-12-21)29(38)35-25-16-10-9-15-23(25)33-34-35/h3-16,20,24,27H,17-19H2,1-2H3,(H,31,37)(H,32,39)