(2S)-4-{[(3S)-3-carboxy-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propyl]disulfanyl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid|(2S)-4-{[(3S)-3-carboxy-3-{[(9H-fluoren-9-ylmethoxy)car...

基本信息

化学结构

分子式

C₃₈H₃₆N₂O₈S₂

分子量

712.83104

精确质量

712.19130812

电荷

InChI

InChI=1S/C38H36N2O8S2/c41-35(42)33(39-37(45)47-21-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-19-49-50-20-18-34(36(43)44)40-38(46)48-22-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,31-34H,17-22H2,(H,39,45)(H,40,46)(H,41,42)(H,43,44)/t33-,34-/m0/s1

InChIKey

NCFXZAOAWVFTCF-HEVIKAOCSA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)CCSSCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

[C@H](CCSSCC[C@@H](C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2

计算属性

JChem

Acid pKa

3.3913212

质子受体

质子供体