methyl (2S)-3-(4-methoxyphenyl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate Openeye Name: methyl (2S)-2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoate Traditional Name: (2S)-2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C22H34N2O6/c1-22(2,3)30-21(27)23-14-8-6-7-9-19(25)24-18(20(26)29-5)15-16-10-12-17(28-4)13-11-16/h10-13,18H,6-9,14-15H2,1-5H3,(H,23,27)(H,24,25)/t18-/m0/s1