2-azanyl-5-[[3-(2-carboxyethyl)-4-(1,3-thiazol-2-yldiazenyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(2-carboxyethyl)-4-(1,3-thiazol-2-yldiazenyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[3-(2-carboxyethyl)-4-thiazol-2-ylazo-anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[3-(2-carboxyethyl)-4-(2-thiazolylazo)anilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[3-(2-carboxyethyl)-4-(1,3-thiazol-2-yldiazenyl)anilino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[3-(2-carboxyethyl)-4-thiazol-2-ylazo-anilino]-5-keto-valeric acid Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)CCC(=O)O)N=NC2=NC=CS2

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)CCC(=O)O)N=NC2=NC=CS2

InChI

InChI=1S/C17H19N5O5S/c18-12(16(26)27)3-5-14(23)20-11-2-4-13(10(9-11)1-6-15(24)25)21-22-17-19-7-8-28-17/h2,4,7-9,12H,1,3,5-6,18H2,(H,20,23)(H,24,25)(H,26,27)