2-azanyl-5-[[1-(carboxymethylamino)-3-(3-hexanoyloxy-4-oxidanylidene-cyclopent-2-en-1-yl)sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-(3-hexanoyloxy-4-oxidanylidene-cyclopent-2-en-1-yl)sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(3-hexanoyloxy-4-oxo-cyclopent-2-en-1-yl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4-oxo-3-(1-oxohexoxy)-1-cyclopent-2-enyl]thio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(3-hexanoyloxy-4-oxocyclopent-2-en-1-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(3-caproyloxy-4-keto-cyclopent-2-en-1-yl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C21H31N3O9S MolecularWeight: 501.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(CC1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCCC(=O)OC1=CC(CC1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C21H31N3O9S/c1-2-3-4-5-19(29)33-16-9-12(8-15(16)25)34-11-14(20(30)23-10-18(27)28)24-17(26)7-6-13(22)21(31)32/h9,12-14H,2-8,10-11,22H2,1H3,(H,23,30)(H,24,26)(H,27,28)(H,31,32)