(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfanylphenyl)methoxycarbonylamino]hexanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfanylphenyl)methoxycarbonylamino]hexanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-6-[(4-methylsulfanylphenyl)methoxycarbonylamino]hexanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[4-(methylthio)phenyl]methoxy-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfanylphenyl)methoxycarbonylamino]hexanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-[[4-(methylthio)benzyl]oxycarbonylamino]hexanoic acid Formula: C20H30N2O6S MolecularWeight: 426.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=C(C=C1)SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-20(2,3)28-19(26)22-16(17(23)24)7-5-6-12-21-18(25)27-13-14-8-10-15(29-4)11-9-14/h8-11,16H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1