Chem
J-GLOBAL ID:200907072592353211   Nikkaji number:J2.529.642G

2-(Acetylamino)-6-[3-[9-(ethyliminio)-9H-benzo[a]phenoxazine-5-ylamino]propanoylamino]hexanoic acid methyl ester

2-(アセチルアミノ)-6-[3-[9-(エチルイミニオ)-9H-ベンゾ[a]フェノキサジン-5-イルアミノ]プロパノイルアミノ]ヘキサン酸メチル
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: C30H36N4[N+]O5
Molecular formula furigana: C30-H36-N5-O5
Molecular weight: 546.647
InChI: InChI=1S/C30H35N5O5/c1-4-31-20-12-13-23-26(17-20)40-27-18-25(21-9-5-6-10-22(21)29(27)35-23)32-16-14-28(37)33-15-8-7-11-24(30(38)39-3)34-19(2)36/h5-6,9-10,12-13,17-18,24,32H,4,7-8,11,14-16H2,1-3H3,(H,33,37)(H,34,36)/p+1
InChI key: CDCBKTYOBZVOKF-UHFFFAOYSA-O
SMILES: CC[NH+]=c1ccc2nc3c(cc(NCCC(=O)NCCCCC(NC(=O)C)C(=O)OC)c4ccccc34)oc2c1
Systematic name  (3):
  • 2-(アセチルアミノ)-6-[3-[9-(エチルイミニオ)-9H-ベンゾ[a]フェノキサジン-5-イルアミノ]プロパノイルアミノ]ヘキサン酸メチル
  • N-[12-({2-[(5-アセトアミド-6-メトキシ-6-オキソヘキシル)カルバモイル]エチル}アミノ)-8H-10-オキサ-5-アザテトラフェン-8-イリデン]エタン-1-アミニウム
  • N-[12-({2-[(5-acetamido-6-methoxy-6-oxohexyl)carbamoyl]ethyl}amino)-8H-10-oxa-5-azatetraphen-8-ylidene]ethan-1-aminium
Other name (1):
  • 2-(Acetylamino)-6-[3-[9-(ethyliminio)-9H-benzo[a]phenoxazine-5-ylamino]propanoylamino]hexanoic acid methyl ester
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