2-[4-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[4-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-(2-thienyl)propanoic acid CAS Name: 2-[[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxobutyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[4-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]butanoylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[4-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]butanoylamino]-3-(2-thienyl)propionic acid Formula: C19H28N6O4S MolecularWeight: 436.52842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN1C(=N)N)CC(C(=O)NCCCC(=O)NC(CC2=CC=CS2)C(=O)O)N

Isomeric SMILES

C1C=C(CN1C(=N)N)CC(C(=O)NCCCC(=O)NC(CC2=CC=CS2)C(=O)O)N

InChI

InChI=1S/C19H28N6O4S/c20-14(9-12-5-7-25(11-12)19(21)22)17(27)23-6-1-4-16(26)24-15(18(28)29)10-13-3-2-8-30-13/h2-3,5,8,14-15H,1,4,6-7,9-11,20H2,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)