[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-4-15(5-2)23-19(25)12-27-20(26)18(22-13(3)24)10-14-11-21-17-9-7-6-8-16(14)17/h6-9,11,15,18,21H,4-5,10,12H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1