2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2,3-bis(propanoylamino)-3-(5-propylthiophen-2-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2,3-bis(propanoylamino)-3-(5-propylthiophen-2-yl)propanoic acid Openeye Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2,3-bis(propanoylamino)-3-(5-propyl-2-thienyl)propanoic acid CAS Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2,3-bis(1-oxopropylamino)-3-(5-propyl-2-thiophenyl)propanoic acid IUPAC Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2,3-bis(propanoylamino)-3-(5-propylthiophen-2-yl)propanoic acid Traditional Name: 3-(1-amidino-3-pyrrolin-3-yl)-2-amino-2,3-dipropionamido-3-(5-propyl-2-thienyl)propionic acid Formula: C21H32N6O4S MolecularWeight: 464.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C(C2=CCN(C2)C(=N)N)(C(C(=O)O)(N)NC(=O)CC)NC(=O)CC

Isomeric SMILES

CCCC1=CC=C(S1)C(C2=CCN(C2)C(=N)N)(C(C(=O)O)(N)NC(=O)CC)NC(=O)CC

InChI

InChI=1S/C21H32N6O4S/c1-4-7-14-8-9-15(32-14)20(25-16(28)5-2,13-10-11-27(12-13)19(22)23)21(24,18(30)31)26-17(29)6-3/h8-10H,4-7,11-12,24H2,1-3H3,(H3,22,23)(H,25,28)(H,26,29)(H,30,31)