3-[5-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propanoate

Systemtic Name: 3-[5-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propanoate Openeye Name: 3-[5-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-2-(3-methylthiazol-3-ium-2-yl)azo-phenyl]propanoate CAS Name: 3-[5-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-2-[(3-methyl-2-thiazol-3-iumyl)azo]phenyl]propanoate IUPAC Name: 3-[5-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propanoate Traditional Name: 3-[5-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-2-(3-methylthiazol-3-ium-2-yl)azo-phenyl]propionate Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)CCC(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC=C1)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)CCC(=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-23-8-9-29-18(23)22-21-14-5-3-12(10-11(14)2-7-16(25)26)20-15(24)6-4-13(19)17(27)28/h3,5,8-10,13H,2,4,6-7,19H2,1H3,(H2,25,26,27,28)