2-azanyl-3-[[4-(2-ethylphenyl)-3-propyl-1H-indol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(2-ethylphenyl)-3-propyl-1H-indol-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(2-ethylphenyl)-3-propyl-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[[4-(2-ethylphenyl)-3-propyl-1H-indol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(2-ethylphenyl)-3-propyl-1H-indole-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-(2-ethylphenyl)-3-propyl-1H-indole-2-carbonyl]amino]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC2=CC=CC(=C21)C3=CC=CC=C3CC)C(=O)NCC(C(=O)O)N

Isomeric SMILES

CCCC1=C(NC2=CC=CC(=C21)C3=CC=CC=C3CC)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C23H27N3O3/c1-3-8-17-20-16(15-10-6-5-9-14(15)4-2)11-7-12-19(20)26-21(17)22(27)25-13-18(24)23(28)29/h5-7,9-12,18,26H,3-4,8,13,24H2,1-2H3,(H,25,27)(H,28,29)