4-azanyl-5-[[1-(carboxymethylamino)-3-octylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-octylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-(carboxymethylamino)-1-(octylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-3-(octylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(octylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C18H33N3O6S MolecularWeight: 419.53612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(18(27)20-11-16(24)25)21-17(26)13(19)8-9-15(22)23/h13-14H,2-12,19H2,1H3,(H,20,27)(H,21,26)(H,22,23)(H,24,25)