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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O5/c1-2-3-15(28)25-19(23,17(30)31)20(32,14-6-9-24-10-7-14)26-16(29)5-4-13-8-11-27(12-13)18(21)22/h6-10,32H,2-5,11-12,23H2,1H3,(H3,21,22)(H,25,28)(H,26,29)(H,30,31)