(2R)-2-[(3R)-2-[[2,6-bis(chloranyl)phenyl]amino]-3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]-3-oxidanyl-cyclohexa-1,5-dien-1-yl]-2-oxidanyl-pentanoic acid

Systemtic Name: (2R)-2-[(3R)-2-[[2,6-bis(chloranyl)phenyl]amino]-3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]-3-oxidanyl-cyclohexa-1,5-dien-1-yl]-2-oxidanyl-pentanoic acid Openeye Name: (2R)-2-[(3R)-2-(2,6-dichloroanilino)-3-hydroxy-3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-hydroxy-pentanoic acid CAS Name: (2R)-2-[(3R)-2-(2,6-dichloroanilino)-3-hydroxy-3-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]-1-cyclohexa-1,5-dienyl]-2-hydroxypentanoic acid IUPAC Name: (2R)-2-[(3R)-2-(2,6-dichloroanilino)-3-hydroxy-3-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-hydroxypentanoic acid Traditional Name: (2R)-2-[(3R)-2-(2,6-dichloroanilino)-3-hydroxy-3-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]cyclohexa-1,5-dien-1-yl]-2-hydroxy-valeric acid Formula: C22H27Cl2N3O6S MolecularWeight: 532.43728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(CC=C1)(C(=O)NCC(C)(C)SN=O)O)NC2=C(C=CC=C2Cl)Cl)(C(=O)O)O

Isomeric SMILES

CCC[C@@](C1=C([C@](CC=C1)(C(=O)NCC(C)(C)SN=O)O)NC2=C(C=CC=C2Cl)Cl)(C(=O)O)O

InChI

InChI=1S/C22H27Cl2N3O6S/c1-4-10-21(31,19(29)30)13-7-6-11-22(32,18(28)25-12-20(2,3)34-27-33)17(13)26-16-14(23)8-5-9-15(16)24/h5-9,26,31-32H,4,10-12H2,1-3H3,(H,25,28)(H,29,30)/t21-,22-/m1/s1