(2S)-2-azanyl-4-methylselanyl-butanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] ethanoate; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

Systemtic Name: (2S)-2-azanyl-4-methylselanyl-butanoic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] ethanoate; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene Openeye Name: (2S)-2-amino-4-methylselanyl-butanoic acid; (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene CAS Name: acetic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester; (2S)-2-amino-4-(methylseleno)butanoic acid; (2S)-2-amino-4-(methylthio)butanoic acid; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene IUPAC Name: (2S)-2-amino-4-methylselanylbutanoic acid; (2S)-2-amino-4-methylsulfanylbutanoic acid; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene Traditional Name: acetic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] ester; (2S)-2-amino-4-(methylseleno)butyric acid; (2S)-2-amino-4-(methylthio)butyric acid; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene Formula: C87H138N2O13SSe MolecularWeight: 1531.05722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C.CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C.CSCCC(C(=O)O)N.C[Se]CCC(C(=O)O)N.C(C(C1C(=O)C(=C(O1)O)O)O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C.CC1=C2O[C@@](CCC2=C(C(=C1C)OC(=O)C)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C.CSCC[C@H](N)C(=O)O.C[Se]CC[C@H](N)C(=O)O.C(O)[C@H](O)[C@H]1OC(=C(C1=O)O)O

InChI

InChI=1S/C40H56.C31H52O3.C6H8O6.C5H11NO2S.C5H11NO2Se/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10;1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31;7-1-2(8)5-3(9)4(10)6(11)12-5;2*1-9-3-2-4(6)5(7)8/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3;21-23H,10-20H2,1-9H3;2,5,7-8,10-11H,1H2;2*4H,2-3,6H2,1H3,(H,7,8)/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+;;;;/t;22-,23-,31-;2-,5+;2*4-/m.1000/s1