2-azanyl-5-[[3-[1,4-bis(oxidanylidene)-4-(2-sulfinooxyethylamino)-1-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[1,4-bis(oxidanylidene)-4-(2-sulfinooxyethylamino)-1-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-[[3-oxo-3-(2-sulfinooxyethylamino)-1-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl-propyl]sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[1,4-dioxo-4-(2-sulfinooxyethylamino)-1-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]butan-2-yl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[1,4-dioxo-4-(2-sulfinooxyethylamino)-1-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[[3-keto-3-(2-sulfinooxyethylamino)-1-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl-propyl]thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C45H74N4O13S2 MolecularWeight: 943.21806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C(CC(=O)NCCOS(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C(CC(=O)NCCOS(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C45H74N4O13S2/c1-27(2)12-9-13-28(3)14-10-15-29(4)16-11-20-45(8)21-19-33-32(7)40(30(5)31(6)41(33)62-45)61-44(57)36(24-38(51)47-22-23-60-64(58)59)63-26-35(42(54)48-25-39(52)53)49-37(50)18-17-34(46)43(55)56/h27-29,34-36H,9-26,46H2,1-8H3,(H,47,51)(H,48,54)(H,49,50)(H,52,53)(H,55,56)(H,58,59)