methyl (2R)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate Openeye Name: methyl (2R)-2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O5S/c1-18(2)14-21(24(29)31-3)26-23(28)22(17-33-16-20-12-8-5-9-13-20)27-25(30)32-15-19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3,(H,26,28)(H,27,30)/t21-,22?/m1/s1