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

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

4.2 InChl

InChI=1S/C125H196N40O36S2/c1-61(2)43-80(105(183)141-57-97(174)151-89(122(200)201)51-93(128)170)157-119(197)90(58-166)164-115(193)84(47-69-27-31-72(167)32-28-69)150-96(173)55-140-104(182)74(24-18-39-137-123(130)131)153-116(194)85(48-70-29-33-73(168)34-30-70)159-117(195)87(50-92(127)169)161-118(196)88(52-99(177)178)162-114(192)81(44-62(3)4)149-95(172)56-143-107(185)86(49-71-53-136-60-144-71)160-110(188)77(26-20-41-139-125(134)135)155-109(187)76(23-16-17-38-126)154-112(190)79(37-42-203-12)152-103(181)67(11)146-101(179)65(9)145-102(180)66(10)147-113(191)82(45-63(5)6)158-111(189)78(35-36-98(175)176)156-120(198)91(59-202)165-108(186)75(25-19-40-138-124(132)133)148-94(171)54-142-106(184)83(46-68-21-14-13-15-22-68)163-121(199)100(129)64(7)8/h13-15,21-22,27-34,53,60-67,74-91,100,166-168,202H,16-20,23-26,35-52,54-59,126,129H2,1-12H3,(H2,127,169)(H2,128,170)(H,136,144)(H,140,182)(H,141,183)(H,142,184)(H,143,185)(H,145,180)(H,146,179)(H,147,191)(H,148,171)(H,149,172)(H,150,173)(H,151,174)(H,152,181)(H,153,194)(H,154,190)(H,155,187)(H,156,198)(H,157,197)(H,158,189)(H,159,195)(H,160,188)(H,161,196)(H,162,192)(H,163,199)(H,164,193)(H,165,186)(H,175,176)(H,177,178)(H,200,201)(H4,130,131,137)(H4,132,133,138)(H4,134,135,139)/t65-,66-,67-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,100-/m0/s1

4.3 InChlKey

JFXJPYIEDZSWNF-JWBGUOTLSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CC3=CN=CN3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)C)N

4.5 lsomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N

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