2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-cyclohexyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-cyclohexyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-cyclohexyl-amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-3-methyl-1-oxobutyl]-cyclohexylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)-methylamino]-3-methylbutanoyl]-cyclohexylamino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-3-methyl-butanoyl]-cyclohexyl-amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C22H40N4O5S2 MolecularWeight: 504.7068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CC(=O)NC(CCSC)C(=O)O)C1CCCCC1)N(C)C(=O)C(CS)N

Isomeric SMILES

CC(C)C(C(=O)N(CC(=O)NC(CCSC)C(=O)O)C1CCCCC1)N(C)C(=O)C(CS)N

InChI

InChI=1S/C22H40N4O5S2/c1-14(2)19(25(3)20(28)16(23)13-32)21(29)26(15-8-6-5-7-9-15)12-18(27)24-17(22(30)31)10-11-33-4/h14-17,19,32H,5-13,23H2,1-4H3,(H,24,27)(H,30,31)