(2S)-2-azanyl-5-[[1-(carboxymethylamino)-3-heptan-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[1-(carboxymethylamino)-3-heptan-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-1-(1-methylhexylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-3-(heptan-2-ylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-3-heptan-2-ylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(1-methylhexylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C17H31N3O6S MolecularWeight: 405.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCCC(C)SCC(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H31N3O6S/c1-3-4-5-6-11(2)27-10-13(16(24)19-9-15(22)23)20-14(21)8-7-12(18)17(25)26/h11-13H,3-10,18H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t11?,12-,13?/m0/s1