2-[2-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanylbutanedioic acid Openeye Name: 2-[2-[(5-amino-6-hydroxy-6-oxo-hexanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanylbutanedioic acid CAS Name: 2-[[2-[(5-amino-6-hydroxy-1,6-dioxohexyl)amino]-3-(carboxymethylamino)-3-oxopropyl]thio]butanedioic acid IUPAC Name: 2-[2-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]thio]succinic acid Formula: C15H23N3O10S MolecularWeight: 437.42222

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CC(=O)NC(CSC(CC(=O)O)C(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C(CC(C(=O)O)N)CC(=O)NC(CSC(CC(=O)O)C(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C15H23N3O10S/c16-7(14(25)26)2-1-3-10(19)18-8(13(24)17-5-12(22)23)6-29-9(15(27)28)4-11(20)21/h7-9H,1-6,16H2,(H,17,24)(H,18,19)(H,20,21)(H,22,23)(H,25,26)(H,27,28)