2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxidanylidene-2-(propanoylamino)-3-pyridin-2-yl-butanoic acid

Systemtic Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxidanylidene-2-(propanoylamino)-3-pyridin-2-yl-butanoic acid Openeye Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-2-(propanoylamino)-3-(2-pyridyl)butanoic acid CAS Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-2-(1-oxopropylamino)-3-(2-pyridinyl)butanoic acid IUPAC Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-2-(propanoylamino)-3-pyridin-2-ylbutanoic acid Traditional Name: 2-(1-amidino-3-pyrrolin-3-yl)-4-(ethylamino)-4-keto-2-propionamido-3-(2-pyridyl)butyric acid Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CCN(C1)C(=N)N)(C(C2=CC=CC=N2)C(=O)NCC)C(=O)O

Isomeric SMILES

CCC(=O)NC(C1=CCN(C1)C(=N)N)(C(C2=CC=CC=N2)C(=O)NCC)C(=O)O

InChI

InChI=1S/C19H26N6O4/c1-3-14(26)24-19(17(28)29,12-8-10-25(11-12)18(20)21)15(16(27)22-4-2)13-7-5-6-9-23-13/h5-9,15H,3-4,10-11H2,1-2H3,(H3,20,21)(H,22,27)(H,24,26)(H,28,29)