2-azanyl-5-[[3-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-[[2-oxidanyl-2-oxidanylidene-1-(2-sulfanylidene-1H-pyridin-3-yl)ethyl]amino]propyl]disulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-[[2-oxidanyl-2-oxidanylidene-1-(2-sulfanylidene-1H-pyridin-3-yl)ethyl]amino]propyl]disulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-[[2-hydroxy-2-oxo-1-(2-thioxo-1H-pyridin-3-yl)ethyl]amino]-3-oxo-propyl]disulfanyl]methyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-[[2-hydroxy-2-oxo-1-(2-sulfanylidene-1H-pyridin-3-yl)ethyl]amino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-[[2-hydroxy-2-oxo-1-(2-sulfanylidene-1H-pyridin-3-yl)ethyl]amino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-[[2-hydroxy-2-keto-1-(2-thioxo-1H-pyridin-3-yl)ethyl]amino]-3-keto-propyl]disulfanyl]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C25H35N7O12S3 MolecularWeight: 721.7801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)C(=C1)C(C(=O)O)NC(=O)C(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CNC(=S)C(=C1)C(C(=O)O)NC(=O)C(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C25H35N7O12S3/c26-12(23(39)40)3-5-16(33)30-14(20(37)29-8-18(35)36)9-46-47-10-15(31-17(34)6-4-13(27)24(41)42)21(38)32-19(25(43)44)11-2-1-7-28-22(11)45/h1-2,7,12-15,19H,3-6,8-10,26-27H2,(H,28,45)(H,29,37)(H,30,33)(H,31,34)(H,32,38)(H,35,36)(H,39,40)(H,41,42)(H,43,44)