Chem
J-GLOBAL ID:200907051531534364   Nikkaji number:J1.451.504F

L-Ala-L-Leu-L-Glu-L-Glu-L-Ala-L-Leu-L-Lys-L-Lys-L-Leu-L-Glu-L-Glu-L-Ala-N6-[3-[3,8,13,17-Tetramethyl-7,12-diethyl-18-(3-oxo-3-hydroxypropyl)-21H,23H-porphyrin-2-yl]propionyl]-L-Lys-L-Lys-L-Lys-L-Leu-L-Ala-Gly-Gly-L-Cys-OH

L-Ala-L-Leu-L-Glu-L-Glu-L-Ala-L-Leu-L-Lys-L-Lys-L-Leu-L-Glu-L-Glu-L-Ala-N6-[3-[3,8,13,17-テトラメチル-7,12-ジエチル-18-(3-オキソ-3-ヒドロキシプロピル)-21H,23H-ポルフィリン-2-イル]プロピオニル]-L-Lys-L-Lys-L-Lys-L-Leu-L-Ala-Gly-Gly-L-Cys-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: C127H201N29O32S
Molecular formula furigana: C127-H201-N29-O32-S
Molecular weight: 2678.240
InChI: InChI=1S/C127H201N29O32S/c1-19-76-68(11)89-57-90-71(14)79(37-43-105(160)161)96(141-90)60-95-78(70(13)92(142-95)59-94-77(20-2)69(12)91(140-94)58-93(76)139-89)36-42-102(157)133-52-30-25-35-80(116(176)145-81(31-21-26-48-128)117(177)146-83(33-23-28-50-130)119(179)155-97(53-64(3)4)123(183)136-73(16)111(171)135-61-103(158)134-62-104(159)143-101(63-189)127(187)188)144-112(172)74(17)137-114(174)85(38-44-106(162)163)149-122(182)88(41-47-109(168)169)152-126(186)100(56-67(9)10)156-120(180)84(34-24-29-51-131)147-118(178)82(32-22-27-49-129)148-125(185)99(55-66(7)8)154-113(173)75(18)138-115(175)86(39-45-107(164)165)150-121(181)87(40-46-108(166)167)151-124(184)98(54-65(5)6)153-110(170)72(15)132/h57-60,64-67,72-75,80-88,97-101,139,142,189H,19-56,61-63,128-132H2,1-18H3,(H,133,157)(H,134,158)(H,135,171)(H,136,183)(H,137,174)(H,138,175)(H,143,159)(H,144,172)(H,145,176)(H,146,177)(H,147,178)(H,148,185)(H,149,182)(H,150,181)(H,151,184)(H,152,186)(H,153,170)(H,154,173)(H,155,179)(H,156,180)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,187,188)/b89-57-,90-57-,91-58-,92-59-,93-58-,94-59-,95-60-,96-60-/t72-,73-,74-,75-,80-,81-,82-,83-,84-,85-,86-,87-,88-,97-,98-,99-,100-,101-/m0/s1
InChI key: VBWZADPSKMKXSE-CLORYZMBSA-N
SMILES: CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CC)C(=C3CCC(=O)O)C)c(c1C)CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O
Systematic name  (3):
  • L-Ala-L-Leu-L-Glu-L-Glu-L-Ala-L-Leu-L-Lys-L-Lys-L-Leu-L-Glu-L-Glu-L-Ala-N6-[3-[3,8,13,17-テトラメチル-7,12-ジエチル-18-(3-オキソ-3-ヒドロキシプロピル)-21H,23H-ポルフィリン-2-イル]プロピオニル]-L-Lys-L-Lys-L-Lys-L-Leu-L-Ala-Gly-Gly-L-Cys-OH
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-{[(1S)-1-{[(1S)-1-({[({[(1R)-1-カルボキシ-2-スルファニルエチル]カルバモイル}メチル)カルバモイル]メチル}カルバモイル)エチル]カルバモイル}-3-メチルブチル]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}-5-{3-[20-(2-カルボキシエチル)-9,14-ジエチル-5,10,15,19-テトラメチル-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-4-イル]プロパンアミド}ペンチル]カルバモイル}エチル]カルバモイル}-3-カルボキシプロピル]カルバモイル}-4-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノプロパンアミド]-4-メチルペンタンアミド]-4-カルボキシブタンアミド]-4-カルボキシブタンアミド]プロパンアミド]-4-メチルペンタンアミド]ヘキサンアミド]ヘキサンアミド]-4-メチルペンタンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-({[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-5-{3-[20-(2-carboxyethyl)-9,14-diethyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanamido}pentyl]carbamoyl}ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-4-carboxybutanamido]-4-carboxybutanamido]propanamido]-4-methylpentanamido]hexanamido]hexanamido]-4-methylpentanamido]butanoic acid
Other name (1):
  • L-Ala-L-Leu-L-Glu-L-Glu-L-Ala-L-Leu-L-Lys-L-Lys-L-Leu-L-Glu-L-Glu-L-Ala-N6-[3-[3,8,13,17-Tetramethyl-7,12-diethyl-18-(3-oxo-3-hydroxypropyl)-21H,23H-porphyrin-2-yl]propionyl]-L-Lys-L-Lys-L-Lys-L-Leu-L-Ala-Gly-Gly-L-Cys-OH
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