methyl (3S)-4-[butyl-(phenylmethyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-[butyl-(phenylmethyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-[benzyl(butyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[butyl-(phenylmethyl)amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-[benzyl(butyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-[benzyl(butyl)amino]-3-(tert-butoxycarbonylamino)-4-keto-butyric acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C(CC(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O5/c1-6-7-13-23(15-16-11-9-8-10-12-16)19(25)17(14-18(24)27-5)22-20(26)28-21(2,3)4/h8-12,17H,6-7,13-15H2,1-5H3,(H,22,26)/t17-/m0/s1