5-azanyl-2-[(4-azanyl-2-oxidanyl-phenyl)carbonylamino]-5-sulfanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-azanyl-2-oxidanyl-phenyl)carbonylamino]-5-sulfanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-amino-2-hydroxy-benzoyl)amino]-5-thioxo-pentanoic acid CAS Name: 5-amino-2-[[(4-amino-2-hydroxyphenyl)-oxomethyl]amino]-5-sulfanylidenepentanoic acid IUPAC Name: 5-amino-2-[(4-amino-2-hydroxybenzoyl)amino]-5-sulfanylidenepentanoic acid Traditional Name: 5-amino-2-[(4-amino-2-hydroxy-benzoyl)amino]-5-thioxo-valeric acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)O)C(=O)NC(CCC(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)O)C(=O)NC(CCC(=S)N)C(=O)O

InChI

InChI=1S/C12H15N3O4S/c13-6-1-2-7(9(16)5-6)11(17)15-8(12(18)19)3-4-10(14)20/h1-2,5,8,16H,3-4,13H2,(H2,14,20)(H,15,17)(H,18,19)