tert-butyl (2S)-4-methyl-2-[[methyl(phenylmethoxycarbonylamino)carbamoyl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[methyl(phenylmethoxycarbonylamino)carbamoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-[[benzyloxycarbonylamino(methyl)carbamoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[[methyl(phenylmethoxycarbonylamino)amino]-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[[methyl(phenylmethoxycarbonylamino)carbamoyl]amino]pentanoate Traditional Name: (2S)-2-[[benzyloxycarbonylamino(methyl)carbamoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)N(C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H31N3O5/c1-14(2)12-16(17(24)28-20(3,4)5)21-18(25)23(6)22-19(26)27-13-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3,(H,21,25)(H,22,26)/t16-/m0/s1