1-[3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-2-oxidanylidene-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-2-oxidanylidene-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-2-oxo-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-1,2-dioxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2-oxopropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]thio]-2-keto-propanoyl]proline Formula: C18H26N4O10S MolecularWeight: 490.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H26N4O10S/c19-9(17(29)30)3-4-13(24)21-10(15(27)20-6-14(25)26)7-33-8-12(23)16(28)22-5-1-2-11(22)18(31)32/h9-11H,1-8,19H2,(H,20,27)(H,21,24)(H,25,26)(H,29,30)(H,31,32)