2-azanyl-7-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-6-oxidanylidene-5-sulfino-heptanoic acid

Systemtic Name: 2-azanyl-7-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-6-oxidanylidene-5-sulfino-heptanoic acid Openeye Name: 2-amino-7-[(2-guanidinobenzoyl)amino]-6-oxo-5-sulfino-heptanoic acid CAS Name: 2-amino-7-[[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-6-oxo-5-sulfinoheptanoic acid IUPAC Name: 2-amino-7-[[2-(diaminomethylideneamino)benzoyl]amino]-6-oxo-5-sulfinoheptanoic acid Traditional Name: 2-amino-7-[(2-guanidinobenzoyl)amino]-6-keto-5-sulfino-enanthic acid Formula: C15H21N5O6S MolecularWeight: 399.42214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)C(CCC(C(=O)O)N)S(=O)O)N=C(N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)C(CCC(C(=O)O)N)S(=O)O)N=C(N)N

InChI

InChI=1S/C15H21N5O6S/c16-9(14(23)24)5-6-12(27(25)26)11(21)7-19-13(22)8-3-1-2-4-10(8)20-15(17)18/h1-4,9,12H,5-7,16H2,(H,19,22)(H,23,24)(H,25,26)(H4,17,18,20)