Chem
J-GLOBAL ID:200907016160019712   Nikkaji number:J1.298.611D

N6-[6-[[[4-(5,10,20-Triphenyl-21H,23H-porphyrin-15-yl)phenyl]carbamoyl]amino]-1-oxohexyl]-N2-(Sar-Gly-L-Phe-L-Leu-Gly-)-L-Lys-[2-[[(methylamino)acetyl]amino]ethyl]NH2

N6-[6-[[[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]アミノ]-1-オキソヘキシル]-N2-(Sar-Gly-L-Phe-L-Leu-Gly-)-L-Lys-[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: C84H96N16O9
Molecular formula furigana: C84-H96-N16-O9
Molecular weight: 1473.795
InChI: InChI=1S/C84H96N16O9/c1-54(2)48-70(100-83(108)71(49-55-22-10-5-11-23-55)99-75(104)52-91-74(103)51-86-4)82(107)92-53-76(105)98-69(81(106)89-47-46-88-73(102)50-85-3)30-19-21-44-87-72(101)31-18-9-20-45-90-84(109)93-60-34-32-59(33-35-60)80-67-42-40-65(96-67)78(57-26-14-7-15-27-57)63-38-36-61(94-63)77(56-24-12-6-13-25-56)62-37-39-64(95-62)79(58-28-16-8-17-29-58)66-41-43-68(80)97-66/h5-8,10-17,22-29,32-43,54,69-71,85-86,94,97H,9,18-21,30-31,44-53H2,1-4H3,(H,87,101)(H,88,102)(H,89,106)(H,91,103)(H,92,107)(H,98,105)(H,99,104)(H,100,108)(H2,90,93,109)/b77-61-,77-62-,78-63-,78-65-,79-64-,79-66-,80-67-,80-68-/t69-,70-,71-/m0/s1
InChI key: UFTABZORGBOJNP-NBADVYHZSA-N
SMILES: CNCC(=O)NCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=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(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC
Systematic name  (3):
  • N6-[6-[[[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]アミノ]-1-オキソヘキシル]-N2-(Sar-Gly-L-Phe-L-Leu-Gly-)-L-Lys-[2-[[(メチルアミノ)アセチル]アミノ]エチル]NH2
  • (2S)-2-{2-[(2S)-4-メチル-2-[(2S)-2-{2-[2-(メチルアミノ)アセトアミド]アセトアミド}-3-フェニルプロパンアミド]ペンタンアミド]アセトアミド}-N-{2-[2-(メチルアミノ)アセトアミド]エチル}-6-(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)ヘキサンアミド
  • (2S)-2-{2-[(2S)-4-methyl-2-[(2S)-2-{2-[2-(methylamino)acetamido]acetamido}-3-phenylpropanamido]pentanamido]acetamido}-N-{2-[2-(methylamino)acetamido]ethyl}-6-(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}hexanamido)hexanamide
Other name (1):
  • N6-[6-[[[4-(5,10,20-Triphenyl-21H,23H-porphyrin-15-yl)phenyl]carbamoyl]amino]-1-oxohexyl]-N2-(Sar-Gly-L-Phe-L-Leu-Gly-)-L-Lys-[2-[[(methylamino)acetyl]amino]ethyl]NH2
Thsaurus map:

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