Chem
J-GLOBAL ID：200907007558389529   Nikkaji number：J1.613.944K

L-Ser-[(3R)-3-Hydroxy-L-Pro-]-O-[3,5-dihydroxy-2-[mercapto(1)methyl]-6-methylbenzoyl]-L-Ser-L-Cys(1)-L-Ala-OH

L-Ser-[(3R)-3-ヒドロキシ-L-Pro-]-O-[3,5-ジヒドロキシ-2-[メルカプト(1)メチル]-6-メチルベンゾイル]-L-Ser-L-Cys(1)-L-Ala-OH
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H35N5O12S2
Molecular formula furigana： C26-H35-N5-O12-S2
Molecular weight： 673.710
InChI： InChI=1S/C26H35N5O12S2/c1-10-17(34)5-18(35)12-8-44-45-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13-,14-,15-,16+,20-/m0/s1
InChI key： JNOMGZOTTMBKIE-BTZKOOKSSA-N
SMILES： C[C@H](NC(=O)[C@@H]1CSSCc2c(O)cc(O)c(C)c2C(=O)OC[C@H](NC(=O)[C@@H]2[C@H](O)CCN2C(=O)[C@@H](N)CO)C(=O)N1)C(=O)O
Systematic name  (3)：
  • L-Ser-[(3R)-3-ヒドロキシ-L-Pro-]-O-[3,5-ジヒドロキシ-2-[メルカプト(1)メチル]-6-メチルベンゾイル]-L-Ser-L-Cys(1)-L-Ala-OH
  • (2S)-2-{[(5R,8S)-8-[(2S,3R)-1-[(2S)-2-アミノ-3-ヒドロキシプロパノイル]-3-ヒドロキシピロリジン-2-アミド]-13,15-ジヒドロキシ-12-メチル-7,11-ジオキソ-1,4,5,6,7,8,9,11-オクタヒドロ-10,2,3,6-ベンゾオキサジチアザシクロトリデシン-5-イル]ホルムアミド}プロパン酸
  • (2S)-2-{[(5R,8S)-8-[(2S,3R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-3-hydroxypyrrolidine-2-amido]-13,15-dihydroxy-12-methyl-7,11-dioxo-1,4,5,6,7,8,9,11-octahydro-10,2,3,6-benzoxadithiazacyclotridecin-5-yl]formamido}propanoic acid
Other name (1)：
  • L-Ser-[(3R)-3-Hydroxy-L-Pro-]-O-[3,5-dihydroxy-2-[mercapto(1)methyl]-6-methylbenzoyl]-L-Ser-L-Cys(1)-L-Ala-OH
KEGG COMPOUND： C12057
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