3-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]phenyl]carbonylamino]propanoic acid; methanoic acid

Systemtic Name: 3-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]phenyl]carbonylamino]propanoic acid; methanoic acid Openeye Name: 3-[[3-[(2-amino-5-guanidino-pentanoyl)amino]benzoyl]amino]propanoic acid; formic acid CAS Name: 3-[[[3-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]phenyl]-oxomethyl]amino]propanoic acid; formic acid IUPAC Name: 3-[[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoyl]amino]propanoic acid; formic acid Traditional Name: 3-[[3-[(2-amino-5-guanidino-pentanoyl)amino]benzoyl]amino]propionic acid; formic acid Formula: C17H26N6O6 MolecularWeight: 410.42494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CCCN=C(N)N)N)C(=O)NCCC(=O)O.C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CCCN=C(N)N)N)C(=O)NCCC(=O)O.C(=O)O

InChI

InChI=1S/C16H24N6O4.CH2O2/c17-12(5-2-7-21-16(18)19)15(26)22-11-4-1-3-10(9-11)14(25)20-8-6-13(23)24;2-1-3/h1,3-4,9,12H,2,5-8,17H2,(H,20,25)(H,22,26)(H,23,24)(H4,18,19,21);1H,(H,2,3)