methyl (4S)-4-[[(3S,4S)-5-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-pentanoyl]amino]-5-oxidanylidene-5-(2-phenylmethoxyethylamino)pentanoate

Systemtic Name: methyl (4S)-4-[[(3S,4S)-5-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-pentanoyl]amino]-5-oxidanylidene-5-(2-phenylmethoxyethylamino)pentanoate Openeye Name: methyl (4S)-5-(2-benzyloxyethylamino)-4-[[(3S,4S)-4-(tert-butoxycarbonylamino)-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-[[(3S,4S)-5-cyclohexyl-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-5-oxo-5-(2-phenylmethoxyethylamino)pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[[(3S,4S)-5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxo-5-(2-phenylmethoxyethylamino)pentanoate Traditional Name: (4S)-5-(2-benzoxyethylamino)-4-[[(3S,4S)-4-(tert-butoxycarbonylamino)-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-5-keto-valeric acid methyl ester Formula: C31H49N3O8 MolecularWeight: 591.73606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CC(=O)NC(CCC(=O)OC)C(=O)NCCOCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](CC(=O)N[C@@H](CCC(=O)OC)C(=O)NCCOCC2=CC=CC=C2)O

InChI

InChI=1S/C31H49N3O8/c1-31(2,3)42-30(39)34-25(19-22-11-7-5-8-12-22)26(35)20-27(36)33-24(15-16-28(37)40-4)29(38)32-17-18-41-21-23-13-9-6-10-14-23/h6,9-10,13-14,22,24-26,35H,5,7-8,11-12,15-21H2,1-4H3,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,26-/m0/s1