Chemical Compound

(2S,2 aS,6 R,7S,7 S,8 S,8 aR)-7-Ethyl-1 ,2 ,2 a,3 ,3 ,4,4 ,5 ,6 ,7-decahydro-6 -methyl-8 aH-5 ,6 ,8 b-triazadispiro[oxepin-2(3H),4 (5 H)-acenaphthylene-7 (8 H),2 -[2H]pyran]-8 -carboxylic acid 16-[[(S)-4-(acetylamino)-2-acetoxybutyl][3-(acetylamino)propyl]amino]-16-oxohexadecyl ester

(2S,2   aS,6      R,7S,7   S,8   S,8   aR)-7-Ethyl-1   ,2   ,2   a,3   ,3      ,4,4      ,5      ,6      ,7-decahydro-6      -methyl-8   aH-5   ,6   ,8   b-triazadispiro[oxepin-2(3H),4   (5   H)-acenaphthylene-7   (8   H),2      -[2H]pyran]-8   -carboxylic acid 16-[[(S)-4-(acetylamino)-2-acetoxybutyl][3-(acetylamino)propyl]amino]-16-oxohexadecyl ester 结构式
Primary record

(2S,2 aS,6 R,7S,7 S,8 S,8 aR)-7-Ethyl-1 ,2 ,2 a,3 ,3 ,4,4 ,5 ,6 ,7-decahydro-6 -methyl-8 aH-5 ,6 ,8 b-triazadispiro[oxepin-2(3H),4 (5 H)-acenaphthylene-7 (8 H),2 -[2H]pyran]-8 -carboxylic acid 16-[[(S)-4-(acetylamino)-2-acetoxybutyl][3-(acetylamino)propyl]amino]-16-oxohexadecyl ester

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101008926
SMILES
CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4N3C(=N[C@@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)CCC[C@H](O5)C)N2
Canonical SMILES
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1

名称与同义词

  • Acetylcrambescidine 800
  • J1.252.614H
  • (2S)-4-acetamido-1-[N-(3-acetamidopropyl)-16-{[(1'S,2S,4'R,5'S,6R,7''S,10'S)-7''-ethyl-6-methyl-4'',7''-dihydro-3''H-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.04,12]dodecane-10',2''-oxepin]-7'-en-5'-yl]carbonyloxy}hexadecanamido]butan-2-yl acetate
  • (2S,2 aS,6 R,7S,7 S,8 S,8 aR)-7-Ethyl-1 ,2 ,2 a,3 ,3 ,4,4 ,5 ,6 ,7-decahydro-6 -methyl-8 aH-5 ,6 ,8 b-triazadispiro[oxepin-2(3H),4 (5 H)-acenaphthylene-7 (8 H),2 -[2H]pyran]-8 -carboxylic acid 16-[[(S)-4-(acetylamino)-2-acetoxybutyl][3-(acetylamino)propyl]amino]-16-oxohexadecyl ester