methyl (2R)-2-[2-(cyclohexylcarbonylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(cyclohexylcarbonylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C3CCCCC3

InChI

InChI=1S/C21H27N3O4/c1-28-21(27)18(11-15-12-22-17-10-6-5-9-16(15)17)24-19(25)13-23-20(26)14-7-3-2-4-8-14/h5-6,9-10,12,14,18,22H,2-4,7-8,11,13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1