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

Systemtic Name: 2-[5-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-phenylsulfanyl-butanoic acid Openeye Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-phenylsulfanyl-butanoic acid CAS Name: 2-[[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-3-(phenylthio)butanoic acid IUPAC Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-phenylsulfanylbutanoic acid Traditional Name: 2-[5-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]pentanoylamino]-3-(phenylthio)butyric acid Formula: C23H34N6O4S MolecularWeight: 490.61886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCCCNC(=O)C(CC1=CCN(C1)C(=N)N)N)SC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCCCNC(=O)C(CC1=CCN(C1)C(=N)N)N)SC2=CC=CC=C2

InChI

InChI=1S/C23H34N6O4S/c1-15(34-17-7-3-2-4-8-17)20(22(32)33)28-19(30)9-5-6-11-27-21(31)18(24)13-16-10-12-29(14-16)23(25)26/h2-4,7-8,10,15,18,20H,5-6,9,11-14,24H2,1H3,(H3,25,26)(H,27,31)(H,28,30)(H,32,33)