Chem
J-GLOBAL ID：200907054197681600   Nikkaji number：J1.179.854C

N-[6-[[4-[(12β,14-Dihydroxy-5β-carda-20(22)-enolide-3β-yl)amino]-1,4-dioxobutyl]amino]hexanoyl]-L-alanine

N-[6-[[4-[(12β,14-ジヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル)アミノ]-1,4-ジオキソブチル]アミノ]ヘキサノイル]-L-アラニン
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： C36H55N3O9
Molecular formula furigana： C36-H55-N3-O9
Molecular weight： 673.848
InChI： InChI=1S/C36H55N3O9/c1-21(33(45)46)38-30(42)7-5-4-6-16-37-29(41)10-11-31(43)39-24-12-14-34(2)23(18-24)8-9-26-27(34)19-28(40)35(3)25(13-15-36(26,35)47)22-17-32(44)48-20-22/h17,21,23-28,40,47H,4-16,18-20H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)(H,45,46)/t21-,23+,24-,25+,26+,27-,28+,34-,35-,36-/m0/s1
InChI key： CWBYOEJVHZWHIW-OFCDGHLOSA-N
SMILES： C[C@H](NC(=O)CCCCCNC(=O)CCC(=O)N[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1)C(=O)O
Systematic name  (3)：
  • N-[6-[[4-[(12β,14-ジヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル)アミノ]-1,4-ジオキソブチル]アミノ]ヘキサノイル]-L-アラニン
  • (2S)-2-[6-(3-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-3a,11-ジヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]カルバモイル}プロパンアミド)ヘキサンアミド]プロパン酸
  • (2S)-2-[6-(3-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-3a,11-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]carbamoyl}propanamido)hexanamido]propanoic acid
Other name (1)：
  • N-[6-[[4-[(12β,14-Dihydroxy-5β-carda-20(22)-enolide-3β-yl)amino]-1,4-dioxobutyl]amino]hexanoyl]-L-alanine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM