(phenylmethyl) 2-[[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-amino-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O6/c1-25(2,3)34-24(32)28-19(15-21(26)29)22(30)27-20(14-17-10-6-4-7-11-17)23(31)33-16-18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H2,26,29)(H,27,30)(H,28,32)