3-azanyl-6-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-5-oxidanylidene-4-sulfino-hexanoic acid

Systemtic Name: 3-azanyl-6-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-5-oxidanylidene-4-sulfino-hexanoic acid Openeye Name: 3-amino-6-[(2-guanidinobenzoyl)amino]-5-oxo-4-sulfino-hexanoic acid CAS Name: 3-amino-6-[[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-5-oxo-4-sulfinohexanoic acid IUPAC Name: 3-amino-6-[[2-(diaminomethylideneamino)benzoyl]amino]-5-oxo-4-sulfinohexanoic acid Traditional Name: 3-amino-6-[(2-guanidinobenzoyl)amino]-5-keto-4-sulfino-hexanoic acid Formula: C14H19N5O6S MolecularWeight: 385.39556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O6S/c15-8(5-11(21)22)12(26(24)25)10(20)6-18-13(23)7-3-1-2-4-9(7)19-14(16)17/h1-4,8,12H,5-6,15H2,(H,18,23)(H,21,22)(H,24,25)(H4,16,17,19)