2-[[4-[[(2-azanyl-4-methylsulfanyl-butanoyl)amino]methyl]cyclohexyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-[[(2-azanyl-4-methylsulfanyl-butanoyl)amino]methyl]cyclohexyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[[(2-amino-4-methylsulfanyl-butanoyl)amino]methyl]cyclohexanecarbonyl]amino]butanedioic acid CAS Name: 2-[[[4-[[[2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]cyclohexyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-methylsulfanylbutanoyl)amino]methyl]cyclohexanecarbonyl]amino]butanedioic acid Traditional Name: 2-[[4-[[[2-amino-4-(methylthio)butanoyl]amino]methyl]cyclohexanecarbonyl]amino]succinic acid Formula: C17H29N3O6S MolecularWeight: 403.49366

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NCC1CCC(CC1)C(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C17H29N3O6S/c1-27-7-6-12(18)16(24)19-9-10-2-4-11(5-3-10)15(23)20-13(17(25)26)8-14(21)22/h10-13H,2-9,18H2,1H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)