(phenylmethyl) 3-methyl-2-[2-(phenylmethoxycarbonylamino)pent-4-enoylamino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-(phenylmethoxycarbonylamino)pent-4-enoylamino]butanoate Openeye Name: benzyl 2-[2-(benzyloxycarbonylamino)pent-4-enoylamino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)pent-4-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)pent-4-enoylamino]butanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)pent-4-enoylamino]-3-methyl-butyric acid benzyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O5/c1-4-11-21(26-25(30)32-17-20-14-9-6-10-15-20)23(28)27-22(18(2)3)24(29)31-16-19-12-7-5-8-13-19/h4-10,12-15,18,21-22H,1,11,16-17H2,2-3H3,(H,26,30)(H,27,28)