CAS 73459-29-7|2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamide|2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)pr...

基本信息

化学结构

分子式

C₃₆H₄₃N₇O₆S

分子量

701.83492

精确质量

701.29955313

电荷

InChI

InChI=1S/C36H43N7O6S/c1-50-16-15-29(33(38)46)42-36(49)30(18-22-7-3-2-4-8-22)41-32(45)21-40-35(48)31(19-24-20-39-28-10-6-5-9-26(24)28)43-34(47)27(37)17-23-11-13-25(44)14-12-23/h2-14,20,27,29-31,39,44H,15-19,21,37H2,1H3,(H2,38,46)(H,40,48)(H,41,45)(H,42,49)(H,43,47)

InChIKey

SRGLLZPFSWOZRP-UHFFFAOYSA-N

Canonic Smiles

CSCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccc(cc1)O)N

Isomeric Smiles

CSCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccc(cc1)O)N

计算属性

JChem

Acid pKa

9.509386

质子受体

质子供体