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

Systemtic Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxidanylidene-3-phenyl-2-(propanoylamino)butanoic acid Openeye Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-3-phenyl-2-(propanoylamino)butanoic acid CAS Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-2-(1-oxopropylamino)-3-phenylbutanoic acid IUPAC Name: 2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-4-(ethylamino)-4-oxo-3-phenyl-2-(propanoylamino)butanoic acid Traditional Name: 2-(1-amidino-3-pyrrolin-3-yl)-4-(ethylamino)-4-keto-3-phenyl-2-propionamido-butyric acid Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-3-15(26)24-20(18(28)29,14-10-11-25(12-14)19(21)22)16(17(27)23-4-2)13-8-6-5-7-9-13/h5-10,16H,3-4,11-12H2,1-2H3,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)