2-[4-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-oxidanyl-3-pyridin-4-yl-propanoic acid

Systemtic Name: 2-[4-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-oxidanyl-3-pyridin-4-yl-propanoic acid Openeye Name: 2-[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-hydroxy-3-(4-pyridyl)propanoic acid CAS Name: 2-[[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxobutyl]amino]-3-hydroxy-3-pyridin-4-ylpropanoic acid IUPAC Name: 2-[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-hydroxy-3-pyridin-4-ylpropanoic acid Traditional Name: 2-[4-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]butanoylamino]-3-hydroxy-3-(4-pyridyl)propionic acid Formula: C20H29N7O5 MolecularWeight: 447.48816

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN1C(=N)N)CC(C(=O)NCCCC(=O)NC(C(C2=CC=NC=C2)O)C(=O)O)N

Isomeric SMILES

C1C=C(CN1C(=N)N)CC(C(=O)NCCCC(=O)NC(C(C2=CC=NC=C2)O)C(=O)O)N

InChI

InChI=1S/C20H29N7O5/c21-14(10-12-5-9-27(11-12)20(22)23)18(30)25-6-1-2-15(28)26-16(19(31)32)17(29)13-3-7-24-8-4-13/h3-5,7-8,14,16-17,29H,1-2,6,9-11,21H2,(H3,22,23)(H,25,30)(H,26,28)(H,31,32)