methyl (3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]carbamoyl]-5-methyl-hexanoate

Systemtic Name: methyl (3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]carbamoyl]-5-methyl-hexanoate Openeye Name: methyl (3R)-3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-piperidyl)ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: (3R)-3-[[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1-piperidinyl)propan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl (3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (3R)-3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-piperidino-ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCCCC3

InChI

InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)32-3)24(30)27-22(25(31)28-11-7-4-8-12-28)14-19-16-26-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22,26H,4,7-8,11-15H2,1-3H3,(H,27,30)/t18-,22+/m1/s1