2-azanyl-3-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-2-propanoyl-3-sulfanyl-hexa-4,5-dienoic acid

Systemtic Name: 2-azanyl-3-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-2-propanoyl-3-sulfanyl-hexa-4,5-dienoic acid Openeye Name: 2-amino-3-[(5-amino-6-hydroxy-6-oxo-hexanoyl)amino]-2-propanoyl-3-sulfanyl-hexa-4,5-dienoic acid CAS Name: 2-amino-3-[(5-amino-6-hydroxy-1,6-dioxohexyl)amino]-3-mercapto-2-(1-oxopropyl)hexa-4,5-dienoic acid IUPAC Name: 2-amino-3-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-2-propanoyl-3-sulfanylhexa-4,5-dienoic acid Traditional Name: 2-amino-3-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-3-mercapto-2-propionyl-hexa-4,5-dienoic acid Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)O)(C(C=C=C)(NC(=O)CCCC(C(=O)O)N)S)N

Isomeric SMILES

CCC(=O)C(C(=O)O)(C(C=C=C)(NC(=O)CCCC(C(=O)O)N)S)N

InChI

InChI=1S/C15H23N3O6S/c1-3-8-14(25,15(17,13(23)24)10(19)4-2)18-11(20)7-5-6-9(16)12(21)22/h8-9,25H,1,4-7,16-17H2,2H3,(H,18,20)(H,21,22)(H,23,24)