2-acetamido-5-[[1-(carboxymethylamino)-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[2-(carboxymethylamino)-1-(hexylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-(hexylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[2-(carboxymethylamino)-1-[(hexylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H31N3O7S MolecularWeight: 433.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C18H31N3O7S/c1-3-4-5-6-9-29-11-14(17(26)19-10-16(24)25)21-15(23)8-7-13(18(27)28)20-12(2)22/h13-14H,3-11H2,1-2H3,(H,19,26)(H,20,22)(H,21,23)(H,24,25)(H,27,28)