Chem
J-GLOBAL ID:200907058074383015
Nikkaji number:J2.282.170I
(2S,5R,8S)-4-Hydroxy-4,7,10-trioxo-5-isobutyl-8-(N-isovalerylvalylamino)-2,11-(1,3-xylylene)-3-oxa-4-phospha-6,11-diazaundecanoic acid methyl ester
(2S,5R,8S)-4-ヒドロキシ-4,7,10-トリオキソ-5-イソブチル-8-(N-イソバレリルバリルアミノ)-2,11-(1,3-キシリレン)-3-オキサ-4-ホスファ-6,11-ジアザウンデカン酸メチル
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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:
C30 H47 N4 O9 P
Molecular formula furigana:
C30-H47-N4-O9-P
Molecular weight:
638.699
InChI:
InChI=1S/C30H47N4O9P/c1-17(2)11-25(36)33-27(19(5)6)29(38)32-22-15-24(35)31-16-21-10-8-9-20(13-21)14-23(30(39)42-7)43-44(40,41)26(12-18(3)4)34-28(22)37/h8-10,13,17-19,22-23,26-27H,11-12,14-16H2,1-7H3,(H,31,35)(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t22?,23?,26?,27-/m0/s1
InChI key:
BOYAGOIPWLIWCX-VJERQHLYSA-N
SMILES:
COC(=O)C1Cc2cccc(CNC(=O)CC(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(=O)NC(CC(C)C)P(=O)(O)O1)c2
Systematic name (3):
(2S,5R,8S)-4-ヒドロキシ-4,7,10-トリオキソ-5-イソブチル-8-(N-イソバレリルバリルアミノ)-2,11-(1,3-キシリレン)-3-オキサ-4-ホスファ-6,11-ジアザウンデカン酸メチル
メチル (6S,9R,12S)-10-ヒドロキシ-6-[(2S)-3-メチル-2-(3-メチルブタンアミド)ブタンアミド]-9-(2-メチルプロピル)-4,7,10-トリオキソ-11-オキサ-3,8-ジアザ-10λ5 -ホスファビシクロ[12.3.1]オクタデカ-1(18),14,16-トリエン-12-カルボキシラート
methyl (6S,9R,12S)-10-hydroxy-6-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]-9-(2-methylpropyl)-4,7,10-trioxo-11-oxa-3,8-diaza-10λ5 -phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylate
Other name (1):
(2S,5R,8S)-4-Hydroxy-4,7,10-trioxo-5-isobutyl-8-(N-isovalerylvalylamino)-2,11-(1,3-xylylene)-3-oxa-4-phospha-6,11-diazaundecanoic acid methyl ester
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