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

Systemtic Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-3-methyl-4-oxidanylidene-2-(propanoylamino)butanoic acid Openeye Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-3-methyl-4-oxo-2-(propanoylamino)butanoic acid CAS Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-3-methyl-4-oxo-2-(1-oxopropylamino)butanoic acid IUPAC Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-3-methyl-4-oxo-2-(propanoylamino)butanoic acid Traditional Name: 2-(1-amidino-3-pyrrolin-3-yl)-4-(ethylamino)-4-keto-3-methyl-2-propionamido-butyric acid Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CCN(C1)C(=N)N)(C(C)C(=O)NCC)C(=O)O

Isomeric SMILES

CCC(=O)NC(C1=CCN(C1)C(=N)N)(C(C)C(=O)NCC)C(=O)O

InChI

InChI=1S/C15H25N5O4/c1-4-11(21)19-15(13(23)24,9(3)12(22)18-5-2)10-6-7-20(8-10)14(16)17/h6,9H,4-5,7-8H2,1-3H3,(H3,16,17)(H,18,22)(H,19,21)(H,23,24)