3-[[4-[2-(2-acetamidoethyldisulfanyl)ethylcarbamoyl]cyclohexyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-[2-(2-acetamidoethyldisulfanyl)ethylcarbamoyl]cyclohexyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-[2-(2-acetamidoethyldisulfanyl)ethylcarbamoyl]cyclohexyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[4-[[2-(2-acetamidoethyldisulfanyl)ethylamino]-oxomethyl]cyclohexyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-[2-(2-acetamidoethyldisulfanyl)ethylcarbamoyl]cyclohexyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-[2-(2-acetamidoethyldisulfanyl)ethylcarbamoyl]cyclohexyl]carbamoyl]pyrazinoic acid Formula: C19H27N5O5S2 MolecularWeight: 469.57818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C19H27N5O5S2/c1-12(25)20-8-10-30-31-11-9-23-17(26)13-2-4-14(5-3-13)24-18(27)15-16(19(28)29)22-7-6-21-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,25)(H,23,26)(H,24,27)(H,28,29)