cyclo[Abu(2,3-dehydro)-Arg-Phe(3-OH)-Met-Val-Thr-Ile-DL-aThr-Val-Val-Val-Phe-Val]

基本情報

標準SMILES: C/C=C1\N=C(O)[C@H](C(C)C)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)C([C@H](C)O)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc2cccc(O)c2)N=C(O)[C@H](CCCNC(=N)N)N=C1O
InChIKey: OHJABQJIRXSYNI-OWJPTCRFSA-N
分子式: C72H114N16O16S
平均分子量: 1,491.8 g/mol
単同位体質量: 1,490.83194257

優先名称: cyclo[Abu(2,3-dehydro)-Arg-Phe(3-OH)-Met-Val-Thr-Ile-DL-aThr-Val-Val-Val-Phe-Val]
IUPAC: 2-[3-[(2S,5S,8S,11S,14S,17S,23S,26S,29S,32S,35S,38Z)-32-benzyl-17-[(2S)-butan-2-yl]-38-ethylidene-14-[(1R)-1-hydroxyethyl]-20-[(1S)-1-hydroxyethyl]-5-[(3-hydroxyphenyl)methyl]-8-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxo-11,23,26,29,35-penta(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecazacyclononatriacont-2-yl]propyl]guanidine

読み込み中…

標準SMILES: C/C=C1\N=C(O)[C@H](C(C)C)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)C([C@H](C)O)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc2cccc(O)c2)N=C(O)[C@H](CCCNC(=N)N)N=C1O
InChIKey: OHJABQJIRXSYNI-OWJPTCRFSA-N
分子式: C72H114N16O16S
平均分子量: 1,491.8 g/mol
単同位体質量: 1,490.83194257

優先名称: cyclo[Abu(2,3-dehydro)-Arg-Phe(3-OH)-Met-Val-Thr-Ile-DL-aThr-Val-Val-Val-Phe-Val]
IUPAC: 2-[3-[(2S,5S,8S,11S,14S,17S,23S,26S,29S,32S,35S,38Z)-32-benzyl-17-[(2S)-butan-2-yl]-38-ethylidene-14-[(1R)-1-hydroxyethyl]-20-[(1S)-1-hydroxyethyl]-5-[(3-hydroxyphenyl)methyl]-8-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxo-11,23,26,29,35-penta(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecazacyclononatriacont-2-yl]propyl]guanidine

読み込み中…