3,7-bis(azanyl)-5-[4-azanyl-1-oxidanylidene-1-(5-oxidanylidenepyrrolidin-2-yl)butan-2-yl]-5-[2,4-bis(azanyl)-1-oxidanyl-1,3-bis(oxidanylidene)-5-sulfanyl-pentan-2-yl]-4,6-bis(oxidanylidene)decanedioic acid

Systemtic Name: 3,7-bis(azanyl)-5-[4-azanyl-1-oxidanylidene-1-(5-oxidanylidenepyrrolidin-2-yl)butan-2-yl]-5-[2,4-bis(azanyl)-1-oxidanyl-1,3-bis(oxidanylidene)-5-sulfanyl-pentan-2-yl]-4,6-bis(oxidanylidene)decanedioic acid Openeye Name: 3,7-diamino-5-[3-amino-1-(5-oxopyrrolidine-2-carbonyl)propyl]-5-(1,3-diamino-1-carboxy-2-oxo-4-sulfanyl-butyl)-4,6-dioxo-decanedioic acid CAS Name: 3,7-diamino-5-[4-amino-1-oxo-1-(5-oxo-2-pyrrolidinyl)butan-2-yl]-5-(2,4-diamino-1-hydroxy-5-mercapto-1,3-dioxopentan-2-yl)-4,6-dioxodecanedioic acid IUPAC Name: 3,7-diamino-5-[4-amino-1-oxo-1-(5-oxopyrrolidin-2-yl)butan-2-yl]-5-(2,4-diamino-1-hydroxy-1,3-dioxo-5-sulfanylpentan-2-yl)-4,6-dioxodecanedioic acid Traditional Name: 3,7-diamino-5-(3-amino-1-pyroglutamoyl-propyl)-5-(1,3-diamino-1-carboxy-2-keto-4-mercapto-butyl)-4,6-diketo-sebacic acid Formula: C23H36N6O11S MolecularWeight: 604.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)C(CCN)C(C(=O)C(CCC(=O)O)N)(C(=O)C(CC(=O)O)N)C(C(=O)C(CS)N)(C(=O)O)N

Isomeric SMILES

C1CC(=O)NC1C(=O)C(CCN)C(C(=O)C(CCC(=O)O)N)(C(=O)C(CC(=O)O)N)C(C(=O)C(CS)N)(C(=O)O)N

InChI

InChI=1S/C23H36N6O11S/c24-6-5-9(17(35)13-2-3-14(30)29-13)22(19(37)11(26)7-16(33)34,18(36)10(25)1-4-15(31)32)23(28,21(39)40)20(38)12(27)8-41/h9-13,41H,1-8,24-28H2,(H,29,30)(H,31,32)(H,33,34)(H,39,40)