2. 供应商与价格

3. 结构

3.1 二维结构

3.2 三维结构

4. 国际命名与标识

4.1 IUPAC Name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid

4.2 InChl

InChI=1S/C119H183N35O28S/c1-60(2)43-83(106(170)146-84(44-61(3)4)107(171)143-82(37-42-183-15)102(166)132-55-94(161)141-89(117(181)182)45-62(5)6)140-93(160)54-131-98(162)65(11)136-99(163)66(12)137-103(167)79(26-20-39-128-118(122)123)139-92(159)56-133-113(177)95(63(7)8)152-115(179)97(68(14)156)153-111(175)88(50-73-53-127-59-135-73)149-109(173)86(47-70-31-35-75(158)36-32-70)147-105(169)81(27-21-40-129-119(124)125)144-112(176)91-28-22-41-154(91)116(180)90(57-155)150-100(164)67(13)138-114(178)96(64(9)10)151-110(174)87(49-72-52-126-58-134-72)148-104(168)80(25-18-19-38-120)142-108(172)85(46-69-29-33-74(157)34-30-69)145-101(165)77(121)48-71-51-130-78-24-17-16-23-76(71)78/h16-17,23-24,29-36,51-53,58-68,77,79-91,95-97,130,155-158H,18-22,25-28,37-50,54-57,120-121H2,1-15H3,(H,126,134)(H,127,135)(H,131,162)(H,132,166)(H,133,177)(H,136,163)(H,137,167)(H,138,178)(H,139,159)(H,140,160)(H,141,161)(H,142,172)(H,143,171)(H,144,176)(H,145,165)(H,146,170)(H,147,169)(H,148,168)(H,149,173)(H,150,164)(H,151,174)(H,152,179)(H,153,175)(H,181,182)(H4,122,123,128)(H4,124,125,129)/t65-,66-,67-,68+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1

4.3 InChlKey

AKMMHLDUORFPQZ-BKMDBHAQSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC4=CN=CN4)NC(=O)C(CCCCN)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC6=CNC7=CC=CC=C76)N

4.5 lsomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N)O

4.6 SDF文件

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

5.4 红外光谱(IR)

5.5 紫外/可见光谱(UV/Vis)

6. 相关药材

7. 相关靶点

8. 相关疾病