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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-propylpentanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-propylpentanoylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxo-2-propylpentyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-propylpentanoylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(2-propylpentanoylamino)propionic acid methyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-4-8-14(9-5-2)19(23)22-18(20(24)25-3)12-15-13-21-17-11-7-6-10-16(15)17/h6-7,10-11,13-14,18,21H,4-5,8-9,12H2,1-3H3,(H,22,23)/t18-/m0/s1