2-[5-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[5-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-2-(2-thienyl)acetic acid CAS Name: 2-[[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-2-thiophen-2-ylacetic acid Traditional Name: 2-[5-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]pentanoylamino]-2-(2-thienyl)acetic acid Formula: C19H28N6O4S MolecularWeight: 436.52842

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN1C(=N)N)CC(C(=O)NCCCCC(=O)NC(C2=CC=CS2)C(=O)O)N

Isomeric SMILES

C1C=C(CN1C(=N)N)CC(C(=O)NCCCCC(=O)NC(C2=CC=CS2)C(=O)O)N

InChI

InChI=1S/C19H28N6O4S/c20-13(10-12-6-8-25(11-12)19(21)22)17(27)23-7-2-1-5-15(26)24-16(18(28)29)14-4-3-9-30-14/h3-4,6,9,13,16H,1-2,5,7-8,10-11,20H2,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)