methyl (2S)-2-(3-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(3-benzamido-1-oxopropyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(3-benzamidopropanoylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-29-22(28)19(13-16-14-24-18-10-6-5-9-17(16)18)25-20(26)11-12-23-21(27)15-7-3-2-4-8-15/h2-10,14,19,24H,11-13H2,1H3,(H,23,27)(H,25,26)/t19-/m0/s1