(2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(3-acetyl-1-indolyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-14(24)17-12-23(19-10-6-5-9-16(17)19)13-20(25)22-18(21(26)27)11-15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(H,22,25)(H,26,27)/t18-/m0/s1