Chem
J-GLOBAL ID:200907025349948047   Nikkaji number:J497.573A

(S)-7-Acetylamino-6,7-dihydro-1,2,3-trimethoxy-10-[[2-[(N-formyl-4-methyl-L-phenylalanyl)amino]ethyl]amino]benzo[a]heptalen-9(5H)-one

(S)-7-アセチルアミノ-6,7-ジヒドロ-1,2,3-トリメトキシ-10-[[2-[(N-ホルミル-4-メチル-L-フェニルアラニル)アミノ]エチル]アミノ]ベンゾ[a]ヘプタレン-9(5H)-オン
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: C34H40N4O7
Molecular formula furigana: C34-H40-N4-O7
Molecular weight: 616.715
InChI: InChI=1S/C34H40N4O7/c1-20-6-8-22(9-7-20)16-28(37-19-39)34(42)36-15-14-35-27-13-11-24-25(18-29(27)41)26(38-21(2)40)12-10-23-17-30(43-3)32(44-4)33(45-5)31(23)24/h6-9,11,13,17-19,26,28H,10,12,14-16H2,1-5H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)/t26-,28-/m0/s1
InChI key: OWVXSKGXQABNIC-XCZPVHLTSA-N
SMILES: COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(NCCNC(=O)[C@H](Cc4ccc(C)cc4)NC=O)ccc3c2c(OC)c1OC
Systematic name  (3):
  • (S)-7-アセチルアミノ-6,7-ジヒドロ-1,2,3-トリメトキシ-10-[[2-[(N-ホルミル-4-メチル-L-フェニルアラニル)アミノ]エチル]アミノ]ベンゾ[a]ヘプタレン-9(5H)-オン
  • (2S)-N-(2-{[(10S)-10-アセトアミド-3,4,5-トリメトキシ-13-オキソトリシクロ[9.5.0.02,7]ヘキサデカ-1(16),2(7),3,5,11,14-ヘキサエン-14-イル]アミノ}エチル)-2-ホルムアミド-3-(4-メチルフェニル)プロパンアミド
  • (2S)-N-(2-{[(10S)-10-acetamido-3,4,5-trimethoxy-13-oxotricyclo[9.5.0.02,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-14-yl]amino}ethyl)-2-formamido-3-(4-methylphenyl)propanamide
Other name (1):
  • (S)-7-Acetylamino-6,7-dihydro-1,2,3-trimethoxy-10-[[2-[(N-formyl-4-methyl-L-phenylalanyl)amino]ethyl]amino]benzo[a]heptalen-9(5H)-one
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