3-[[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]phenyl]carbonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid; methanoic acid

Systemtic Name: 3-[[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]phenyl]carbonylamino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid; methanoic acid Openeye Name: formic acid; 3-[[3-(5-guanidinopentanoylamino)benzoyl]amino]-2-indan-5-yl-propanoic acid CAS Name: 3-[[[3-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]phenyl]-oxomethyl]amino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid; formic acid IUPAC Name: 3-[[3-[5-(diaminomethylideneamino)pentanoylamino]benzoyl]amino]-2-(2,3-dihydro-1H-inden-5-yl)propanoic acid; formic acid Traditional Name: formic acid; 3-[[3-(5-guanidinopentanoylamino)benzoyl]amino]-2-indan-5-yl-propionic acid Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(CNC(=O)C3=CC(=CC=C3)NC(=O)CCCCN=C(N)N)C(=O)O.C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(CNC(=O)C3=CC(=CC=C3)NC(=O)CCCCN=C(N)N)C(=O)O.C(=O)O

InChI

InChI=1S/C25H31N5O4.CH2O2/c26-25(27)28-12-2-1-9-22(31)30-20-8-4-7-19(14-20)23(32)29-15-21(24(33)34)18-11-10-16-5-3-6-17(16)13-18;2-1-3/h4,7-8,10-11,13-14,21H,1-3,5-6,9,12,15H2,(H,29,32)(H,30,31)(H,33,34)(H4,26,27,28);1H,(H,2,3)