methyl (2R)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-cyclohexyl-propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-cyclohexyl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-cyclohexyl-propanoate CAS Name: (2R)-2-[[(2S)-2-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-cyclohexylpropanoate Traditional Name: (2R)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-cyclohexyl-propionic acid methyl ester Formula: C21H39N3O5 MolecularWeight: 413.55146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC(CC1CCCCC1)C(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N[C@H](CC1CCCCC1)C(=O)OC)N

InChI

InChI=1S/C21H39N3O5/c1-21(2,3)29-20(27)23-13-9-8-12-16(22)18(25)24-17(19(26)28-4)14-15-10-6-5-7-11-15/h15-17H,5-14,22H2,1-4H3,(H,23,27)(H,24,25)/t16-,17+/m0/s1