3-(1H-indol-3-yl)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]propionic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H18N4O3S/c1-12-17(28-20(22-12)24-8-4-5-9-24)18(25)23-16(19(26)27)10-13-11-21-15-7-3-2-6-14(13)15/h2-9,11,16,21H,10H2,1H3,(H,23,25)(H,26,27)