dimethyl 2-azanyl-4-(3,3-dimethylbutanoylamino)-2,3-bis(sulfanyl)hexanedioate

Systemtic Name: dimethyl 2-azanyl-4-(3,3-dimethylbutanoylamino)-2,3-bis(sulfanyl)hexanedioate Openeye Name: dimethyl 2-amino-4-(3,3-dimethylbutanoylamino)-2,3-bis(sulfanyl)hexanedioate CAS Name: 2-amino-4-[(3,3-dimethyl-1-oxobutyl)amino]-2,3-dimercaptohexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-amino-4-(3,3-dimethylbutanoylamino)-2,3-bis(sulfanyl)hexanedioate Traditional Name: 2-amino-4-(3,3-dimethylbutanoylamino)-2,3-dimercapto-adipic acid dimethyl ester Formula: C14H26N2O5S2 MolecularWeight: 366.49664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CC(=O)OC)C(C(C(=O)OC)(N)S)S

Isomeric SMILES

CC(C)(C)CC(=O)NC(CC(=O)OC)C(C(C(=O)OC)(N)S)S

InChI

InChI=1S/C14H26N2O5S2/c1-13(2,3)7-9(17)16-8(6-10(18)20-4)11(22)14(15,23)12(19)21-5/h8,11,22-23H,6-7,15H2,1-5H3,(H,16,17)