Chem
J-GLOBAL ID:200907000277760959   Nikkaji number:J1.298.613K

N6-[[4-(5,10,20-Triphenyl-21H,23H-porphyrin-15-yl)phenyl]carbamoyl]-N2-Sar-L-Lys-Gly-L-Phe-L-Leu-Gly-[2-[[(methylamino)acetyl]amino]ethyl]NH2

N6-[[4-(5,10,20-トリフェニル-21H,23H-ポルフィリン-15-イル)フェニル]カルバモイル]-N2-Sar-L-Lys-Gly-L-Phe-L-Leu-Gly-[2-[[(メチルアミノ)アセチル]アミノ]エチル]NH2
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: C78H85N15O8
Molecular formula furigana: C78-H85-N15-O8
Molecular weight: 1360.635
InChI: InChI=1S/C78H85N15O8/c1-49(2)43-65(76(99)84-47-68(95)82-42-41-81-67(94)45-79-3)93-77(100)66(44-50-19-9-5-10-20-50)92-70(97)48-85-75(98)64(91-69(96)46-80-4)27-17-18-40-83-78(101)86-55-30-28-54(29-31-55)74-62-38-36-60(89-62)72(52-23-13-7-14-24-52)58-34-32-56(87-58)71(51-21-11-6-12-22-51)57-33-35-59(88-57)73(53-25-15-8-16-26-53)61-37-39-63(74)90-61/h5-16,19-26,28-39,49,64-66,79-80,87,90H,17-18,27,40-48H2,1-4H3,(H,81,94)(H,82,95)(H,84,99)(H,85,98)(H,91,96)(H,92,97)(H,93,100)(H2,83,86,101)/b71-56-,71-57-,72-58-,72-60-,73-59-,73-61-,74-62-,74-63-/t64-,65-,66-/m0/s1
InChI key: GTELEBWCJDPVGH-NPKVFOODSA-N
SMILES: CNCC(=O)NCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)Nc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)NC(=O)CNC
Systematic name  (3):
  • N6-[[4-(5,10,20-トリフェニル-21H,23H-ポルフィリン-15-イル)フェニル]カルバモイル]-N2-Sar-L-Lys-Gly-L-Phe-L-Leu-Gly-[2-[[(メチルアミノ)アセチル]アミノ]エチル]NH2
  • (2S)-N-({[(1S)-1-{[(1S)-3-メチル-1-{[({2-[2-(メチルアミノ)アセトアミド]エチル}カルバモイル)メチル]カルバモイル}ブチル]カルバモイル}-2-フェニルエチル]カルバモイル}メチル)-2-[2-(メチルアミノ)アセトアミド]-6-{[(4-{7,12,17-トリフェニル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}フェニル)カルバモイル]アミノ}ヘキサンアミド
  • (2S)-N-({[(1S)-1-{[(1S)-3-methyl-1-{[({2-[2-(methylamino)acetamido]ethyl}carbamoyl)methyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-2-[2-(methylamino)acetamido]-6-{[(4-{7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}phenyl)carbamoyl]amino}hexanamide
Other name (1):
  • N6-[[4-(5,10,20-Triphenyl-21H,23H-porphyrin-15-yl)phenyl]carbamoyl]-N2-Sar-L-Lys-Gly-L-Phe-L-Leu-Gly-[2-[[(methylamino)acetyl]amino]ethyl]NH2
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