2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-amino-3-sulfanyl-propyl)amino]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(2-amino-3-mercaptopropyl)amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-amino-3-sulfanylpropyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(2-amino-3-mercapto-propyl)amino]benzoyl]amino]-4-(methylthio)butyric acid Formula: C15H23N3O3S2 MolecularWeight: 357.49142

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC(CS)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC(CS)N

InChI

InChI=1S/C15H23N3O3S2/c1-23-7-6-13(15(20)21)18-14(19)10-2-4-12(5-3-10)17-8-11(16)9-22/h2-5,11,13,17,22H,6-9,16H2,1H3,(H,18,19)(H,20,21)