Chem
J-GLOBAL ID:200907097214214877
Nikkaji number:J34.325K
Pristinamycin IC
プリスチナマイシンIC
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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/c1-25-41(58)51-21-10-13-31(51)42(59)50(5)33(23-27-15-17-29(18-16-27)49(3)4)43(60)52-22-19-30(53)24-32(52)38(55)48-36(28-11-7-6-8-12-28)44(61)62-26(2)35(39(56)46-25)47-40(57)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25-26,31-33,35-36,54H,10,13,19,21-24H2,1-5H3,(H,46,56)(H,47,57)(H,48,55)/t25-,26-,31+,32+,33+,35+,36+/m1/s1
InChI key:
BYRKDHSWMQLYJB-MEZHDJEVSA-N
SMILES:
C[C@H]1OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(cc2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)[C@H]1NC(=O)c1ncccc1O)c1ccccc1
Systematic name (3):
N-[(3-ヒドロキシピリジン-2-イル)カルボニル]シクロ(L-Thr*-D-Ala-L-Pro-4-(ジメチルアミノ)-N-メチル-L-Phe-4-オキソ-L-Hpr-L-フェニルGly-)
N-[(3S,6S,12R,15S,16R,19S,22S)-3-{[4-(ジメチルアミノ)フェニル]メチル}-4,12,16-トリメチル-2,5,11,14,18,21,24-ヘプタオキソ-19-フェニル-17-オキサ-1,4,10,13,20-ペンタアザトリシクロ[20.4.0.06,10 ]ヘキサコサン-15-イル]-3-ヒドロキシピリジン-2-カルボキサミド
N-[(3S,6S,12R,15S,16R,19S,22S)-3-{[4-(dimethylamino)phenyl]methyl}-4,12,16-trimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10 ]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Other name (9):
CAS registry number:
28979-74-0
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