3-[2-[[1-methyl-4-[(phenylmethyl)carbamoylamino]pyrrol-2-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[1-methyl-4-[(phenylmethyl)carbamoylamino]pyrrol-2-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[4-(benzylcarbamoylamino)-1-methyl-pyrrole-2-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[1-methyl-4-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-pyrrolyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[4-(benzylcarbamoylamino)-1-methylpyrrole-2-carbonyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[4-(benzylcarbamoylamino)-1-methyl-pyrrole-2-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H26N6O5 MolecularWeight: 478.50044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H26N6O5/c1-30-15-18(28-24(35)27-12-16-6-3-2-4-7-16)10-20(30)23(34)26-14-21(31)29-19(11-22(32)33)17-8-5-9-25-13-17/h2-10,13,15,19H,11-12,14H2,1H3,(H,26,34)(H,29,31)(H,32,33)(H2,27,28,35)