Chem
J-GLOBAL ID:200907024501874570   Nikkaji number:J2.284.956E

N2-[2-[2-[Methyl[2-(1,2,3,4,5,6,10,11,14,15-decahydro-3a-azonia-12a-aza-16-oxa-12H,13H-dibenzo[de,jk]pentacene-8-yl)benzoyl]aminoacetylamino]ethoxy]ethoxyacetyl]-L-Lys-L-Lys-L-Ser-OH

N2-[2-[2-[メチル[2-(1,2,3,4,5,6,10,11,14,15-デカヒドロ-3a-アゾニア-12a-アザ-16-オキサ-12H,13H-ジベンゾ[de,jk]ペンタセン-8-イル)ベンゾイル]アミノアセチルアミノ]エトキシ]エトキシアセチル]-L-Lys-L-Lys-L-Ser-OH
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: C56H76N8[N+]O11
Molecular formula furigana: C56-H76-N9-O11
Molecular weight: 1051.275
InChI: InChI=1S/C56H75N9O11/c1-63(32-46(67)59-22-27-74-28-29-75-34-47(68)60-43(18-4-6-20-57)53(69)61-44(19-5-7-21-58)54(70)62-45(33-66)56(72)73)55(71)38-15-3-2-14-37(38)48-41-30-35-12-8-23-64-25-10-16-39(49(35)64)51(41)76-52-40-17-11-26-65-24-9-13-36(50(40)65)31-42(48)52/h2-3,14-15,30-31,43-45,66H,4-13,16-29,32-34,57-58H2,1H3,(H4-,59,60,61,62,67,68,69,70,72,73)/p+1/t43-,44-,45-/m0/s1
InChI key: BXBVAIPKEZIAFO-OFEBPFRVSA-O
SMILES: CN(CC(=O)NCCOCCOCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)C(=O)c1ccccc1C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34
Systematic name  (3):
  • N2-[2-[2-[メチル[2-(1,2,3,4,5,6,10,11,14,15-デカヒドロ-3a-アゾニア-12a-アザ-16-オキサ-12H,13H-ジベンゾ[de,jk]ペンタセン-8-イル)ベンゾイル]アミノアセチルアミノ]エトキシ]エトキシアセチル]-L-Lys-L-Lys-L-Ser-OH
  • 16-(2-{[({2-[2-({[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-{[(1S)-1-カルボキシ-2-ヒドロキシエチル]カルバモイル}ペンチル]カルバモイル}ペンチル]カルバモイル}メトキシ)エトキシ]エチル}カルバモイル)メチル](メチル)カルバモイル}フェニル)-3-オキサ-9λ5,23-ジアザヘプタシクロ[17.7.1.15,9.02,17.04,15.023,27.013,28]オクタコサ-1,4,9(28),13,15,17,19(27)-ヘプタエン-9-イリウム
  • 16-(2-{[({2-[2-({[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}methoxy)ethoxy]ethyl}carbamoyl)methyl](methyl)carbamoyl}phenyl)-3-oxa-9λ5,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
Other name (1):
  • N2-[2-[2-[Methyl[2-(1,2,3,4,5,6,10,11,14,15-decahydro-3a-azonia-12a-aza-16-oxa-12H,13H-dibenzo[de,jk]pentacene-8-yl)benzoyl]aminoacetylamino]ethoxy]ethoxyacetyl]-L-Lys-L-Lys-L-Ser-OH
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