Chem
J-GLOBAL ID：201007052802806028   Nikkaji number：J2.838.685K

9-[3-[[2-[[8-[[(S)-2-[[(2S,3R)-2-Hydroxy-3-amino-4-phenylbutyryl]amino]-4-methylpentanoyl]oxy]-3,6-dioxaoctane-1-yl]amino]-2-oxoethoxy]imino]-2,6,6-trimethyl-1-cyclohexene-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

9-(3-{[({2-[2-(2-{[(2S)-2-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタンアミド]-4-メチルペンタノイル]オキシ}エトキシ)エトキシ]エチル}カルバモイル)メトキシ]イミノ}-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)-3,7-ジメチルノナ-2,4,6,8-テトラエン酸
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： C44H64N4O10
Molecular formula furigana： C44-H64-N4-O10
Molecular weight： 809.014
InChI： InChI=1S/C44H64N4O10/c1-30(2)26-38(47-42(53)41(52)36(45)28-34-14-9-8-10-15-34)43(54)57-25-24-56-23-22-55-21-20-46-39(49)29-58-48-37-18-19-44(6,7)35(33(37)5)17-16-31(3)12-11-13-32(4)27-40(50)51/h8-17,27,30,36,38,41,52H,18-26,28-29,45H2,1-7H3,(H,46,49)(H,47,53)(H,50,51)/t36-,38+,41+/m1/s1
InChI key： LJDTZKKSXVIAPQ-BMELPEHNSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCOCCOCCNC(=O)CON=C1CCC(C)(C)C(=C1C)C=CC(=CC=CC(=CC(=O)O)C)C
Systematic name  (3)：
  • 9-[3-[[2-[[8-[[(S)-2-[[(2S,3R)-2-ヒドロキシ-3-アミノ-4-フェニルブチリル]アミノ]-4-メチルペンタノイル]オキシ]-3,6-ジオキサオクタン-1-イル]アミノ]-2-オキソエトキシ]イミノ]-2,6,6-トリメチル-1-シクロヘキセン-1-イル]-3,7-ジメチル-2,4,6,8-ノナテトラエン酸
  • 9-(3-{[({2-[2-(2-{[(2S)-2-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタンアミド]-4-メチルペンタノイル]オキシ}エトキシ)エトキシ]エチル}カルバモイル)メトキシ]イミノ}-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)-3,7-ジメチルノナ-2,4,6,8-テトラエン酸
  • 9-(3-{[({2-[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethoxy]ethyl}carbamoyl)methoxy]imino}-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Other name (1)：
  • 9-[3-[[2-[[8-[[(S)-2-[[(2S,3R)-2-Hydroxy-3-amino-4-phenylbutyryl]amino]-4-methylpentanoyl]oxy]-3,6-dioxaoctane-1-yl]amino]-2-oxoethoxy]imino]-2,6,6-trimethyl-1-cyclohexene-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM