2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(pentanoylamino)-3-phenylsulfanyl-4-(propanoylamino)butanoic acid

Systemtic Name: 2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(pentanoylamino)-3-phenylsulfanyl-4-(propanoylamino)butanoic acid Openeye Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(pentanoylamino)-3-phenylsulfanyl-4-(propanoylamino)butanoic acid CAS Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(1-oxopentylamino)-4-(1-oxopropylamino)-3-(phenylthio)butanoic acid IUPAC Name: 2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-2-(pentanoylamino)-3-phenylsulfanyl-4-(propanoylamino)butanoic acid Traditional Name: 3-(1-amidino-3-pyrrolin-3-yl)-2-amino-3-(phenylthio)-4-propionamido-2-(valerylamino)butyric acid Formula: C23H34N6O4S MolecularWeight: 490.61886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(=O)O)(C(CNC(=O)CC)(C1=CCN(C1)C(=N)N)SC2=CC=CC=C2)N

Isomeric SMILES

CCCCC(=O)NC(C(=O)O)(C(CNC(=O)CC)(C1=CCN(C1)C(=N)N)SC2=CC=CC=C2)N

InChI

InChI=1S/C23H34N6O4S/c1-3-5-11-19(31)28-23(26,20(32)33)22(15-27-18(30)4-2,34-17-9-7-6-8-10-17)16-12-13-29(14-16)21(24)25/h6-10,12H,3-5,11,13-15,26H2,1-2H3,(H3,24,25)(H,27,30)(H,28,31)(H,32,33)