Chem
J-GLOBAL ID:200907076339176430
Nikkaji number:J136.084A
E-129Z2
E-129Z2
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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:
C44 H52 N8 O10
Molecular formula furigana:
C44-H52-N8-O10
Molecular weight:
852.946
InChI:
InChI=1S/C44H52N8O10/c1-5-30(47-39(56)37-34(54)14-9-20-46-37)40(57)51-21-10-13-31(51)41(58)49(3)28-17-15-26(16-18-28)23-33-42(59)52-22-19-29(53)24-32(52)38(55)48-36(27-11-7-6-8-12-27)44(61)62-25(2)35(45)43(60)50(33)4/h6-9,11-12,14-18,20,25,30-33,35-36,54H,5,10,13,19,21-24,45H2,1-4H3,(H,47,56)(H,48,55)/t25-,30-,31+,32+,33+,35+,36+/m1/s1
InChI key:
DBDKZQHIJKZDAR-RIECGXCRSA-N
SMILES:
CC[C@@H](NC(=O)c1ncccc1O)C(=O)N1CCC[C@H]1C(=O)N(C)c1ccc(C[C@@H]2N(C)C(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)CCN3C2=O)c2ccccc2)cc1
Systematic name (3):
3-ヒドロキシピコリノイル-シクロ[L-Thr*-D-Abu-L-Pro-4-メチルアミノ-N-メチル-L-Phe-4-オキソ-L-Hpr-L-フェニルGly-]
N-[(2R)-1-[(2S)-2-[(4-{[(3S,6R,7S,10S,16aS)-7-アミノ-6,9-ジメチル-1,4,8,11,15-ペンタオキソ-3-フェニル-テトラデカヒドロ-1H-ピリド[2,1-f]1-オキサ-4,7,10-トリアザシクロトリデカン-10-イル]メチル}フェニル)(メチル)カルバモイル]ピロリジン-1-イル]-1-オキソブタン-2-イル]-3-ヒドロキシピリジン-2-カルボキサミド
N-[(2R)-1-[(2S)-2-[(4-{[(3S,6R,7S,10S,16aS)-7-amino-6,9-dimethyl-1,4,8,11,15-pentaoxo-3-phenyl-tetradecahydro-1H-pyrido[2,1-f]1-oxa-4,7,10-triazacyclotridecan-10-yl]methyl}phenyl)(methyl)carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-hydroxypyridine-2-carboxamide
Other name (12):
Ostreogrycin B2
オストレオグリシンB2
Vernamycin Bβ
E-129Z2
ベルナマイシンBβ
RP-13919
3-Hydroxypicolinoyl-cyclo[L-Thr*-D-Abu-L-Pro-4-methylamino-N-methyl-L-Phe-4-oxo-L-Hpr-L-phenyl Gly-]
E-129Z2
オストレオグリシンB2
ベルナマイシンBβ
Ostreogrycin B2
Vernamycin Bβ
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CAS registry number:
57206-54-9
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