3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(1,2,2-trimethylcycloheptyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(1,2,2-trimethylcycloheptyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]-(1,2,2-trimethylcycloheptyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-(1,2,2-trimethylcycloheptyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)-(1,2,2-trimethylcycloheptyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]-(1,2,2-trimethylcycloheptyl)amino]butyric acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCCC1(C)N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)C

Isomeric SMILES

CC1(CCCCCC1(C)N(C(CS)C(=O)OC)C(=O)C(CC(=O)O)N)C

InChI

InChI=1S/C18H32N2O5S/c1-17(2)8-6-5-7-9-18(17,3)20(13(11-26)16(24)25-4)15(23)12(19)10-14(21)22/h12-13,26H,5-11,19H2,1-4H3,(H,21,22)