5-azanyl-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid; sulfuric acid

Systemtic Name: 5-azanyl-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid; sulfuric acid Openeye Name: 5-amino-2-benzyl-8-guanidino-4-oxo-octanoic acid; sulfuric acid CAS Name: 5-amino-8-(diaminomethylideneamino)-4-oxo-2-(phenylmethyl)octanoic acid; sulfuric acid IUPAC Name: 5-amino-2-benzyl-8-(diaminomethylideneamino)-4-oxooctanoic acid; sulfuric acid Traditional Name: 5-amino-2-benzyl-8-guanidino-4-keto-caprylic acid; sulfuric acid Formula: C32H50N8O10S MolecularWeight: 738.852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O.OS(=O)(=O)O

InChI

InChI=1S/2C16H24N4O3.H2O4S/c2*17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11;1-5(2,3)4/h2*1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20);(H2,1,2,3,4)