4-[[4-(1H-indol-2-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[4-(1H-indol-2-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]butanoic acid Openeye Name: 4-[[4-(1H-indole-2-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]butanoic acid CAS Name: 4-[[[4-[[1H-indol-2-yl(oxo)methyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-(1H-indole-2-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]butanoic acid Traditional Name: 4-[[4-(1H-indole-2-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]butyric acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C19H20N4O4/c1-23-11-13(10-16(23)19(27)20-8-4-7-17(24)25)21-18(26)15-9-12-5-2-3-6-14(12)22-15/h2-3,5-6,9-11,22H,4,7-8H2,1H3,(H,20,27)(H,21,26)(H,24,25)