2-azanyl-3-[3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoylamino]-3-oxidanyl-2-(propanoylamino)-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoylamino]-3-oxidanyl-2-(propanoylamino)-3-pyridin-3-yl-propanoic acid Openeye Name: 2-amino-3-[3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoylamino]-3-hydroxy-2-(propanoylamino)-3-(3-pyridyl)propanoic acid CAS Name: 2-amino-3-[[3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-3-hydroxy-2-(1-oxopropylamino)-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-amino-3-[3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoylamino]-3-hydroxy-2-(propanoylamino)-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-(1-amidino-3-pyrrolin-3-yl)propanoylamino]-2-amino-3-hydroxy-2-propionamido-3-(3-pyridyl)propionic acid Formula: C19H27N7O5 MolecularWeight: 433.46158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(=O)O)(C(C1=CN=CC=C1)(NC(=O)CCC2=CCN(C2)C(=N)N)O)N

Isomeric SMILES

CCC(=O)NC(C(=O)O)(C(C1=CN=CC=C1)(NC(=O)CCC2=CCN(C2)C(=N)N)O)N

InChI

InChI=1S/C19H27N7O5/c1-2-14(27)24-18(22,16(29)30)19(31,13-4-3-8-23-10-13)25-15(28)6-5-12-7-9-26(11-12)17(20)21/h3-4,7-8,10,31H,2,5-6,9,11,22H2,1H3,(H3,20,21)(H,24,27)(H,25,28)(H,29,30)