methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylbutanoylamino)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylbutanoylamino)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylbutanoylamino)benzoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[2-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylbutanoylamino)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(isovalerylamino)benzoyl]amino]propionic acid methyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C24H27N3O4/c1-15(2)12-22(28)26-20-11-7-5-9-18(20)23(29)27-21(24(30)31-3)13-16-14-25-19-10-6-4-8-17(16)19/h4-11,14-15,21,25H,12-13H2,1-3H3,(H,26,28)(H,27,29)/t21-/m0/s1