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

Systemtic Name: (phenylmethyl) 4-[(2-azanyl-3-phenyl-propanoyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-[(2-amino-3-phenyl-propanoyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: 4-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-amino-3-phenylpropanoyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-4-(phenylalanylamino)butyric 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)OCC1=CC=CC=C1)C(=O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)C(CC2=CC=CC=C2)N

InChI

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