2-azanyl-2-(butanoylamino)-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-3-(propanoylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-azanyl-2-(butanoylamino)-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-3-(propanoylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 2-amino-2-(butanoylamino)-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-3-(propanoylamino)-3-(2-thienyl)propanoic acid CAS Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(1-oxobutylamino)-3-(1-oxopropylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-amino-2-(butanoylamino)-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-3-(propanoylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1-amidino-3-pyrrolin-3-yl)-2-amino-2-butyramido-3-propionamido-3-(2-thienyl)propionic acid Formula: C19H28N6O4S MolecularWeight: 436.52842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C(=O)O)(C(C1=CCN(C1)C(=N)N)(C2=CC=CS2)NC(=O)CC)N

Isomeric SMILES

CCCC(=O)NC(C(=O)O)(C(C1=CCN(C1)C(=N)N)(C2=CC=CS2)NC(=O)CC)N

InChI

InChI=1S/C19H28N6O4S/c1-3-6-15(27)24-19(22,16(28)29)18(23-14(26)4-2,13-7-5-10-30-13)12-8-9-25(11-12)17(20)21/h5,7-8,10H,3-4,6,9,11,22H2,1-2H3,(H3,20,21)(H,23,26)(H,24,27)(H,28,29)