ethyl (4S)-5-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl (4S)-5-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl (4S)-3-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-5-cyclohexyl-pentanoate CAS Name: (4S)-5-cyclohexyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-3-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-5-cyclohexyl-valeric acid ethyl ester Formula: C26H40N2O6 MolecularWeight: 476.6056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1CCCCC1)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H40N2O6/c1-5-32-23(29)17-22(27-24(30)33-18-20-14-10-7-11-15-20)21(16-19-12-8-6-9-13-19)28-25(31)34-26(2,3)4/h7,10-11,14-15,19,21-22H,5-6,8-9,12-13,16-18H2,1-4H3,(H,27,30)(H,28,31)/t21-,22?/m0/s1