methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)carbonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)carbonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(1-p-toluoylnipecotoyl)amino]propionic acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C26H29N3O4/c1-17-9-11-18(12-10-17)25(31)29-13-5-6-19(16-29)24(30)28-23(26(32)33-2)14-20-15-27-22-8-4-3-7-21(20)22/h3-4,7-12,15,19,23,27H,5-6,13-14,16H2,1-2H3,(H,28,30)/t19?,23-/m1/s1