CAS 65147-22-0|Z-Phe-Arg-AMC|Z-FR-AMC|benzyl N-[(1S)-1-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]butyl]carbamoyl}-2-phenylethyl]carbamate|benzyl N-[(1S)-1-{[(1S)-4-carbamimid...

基本信息

化学结构

分子式

C₃₃H₃₆N₆O₆

分子量

612.67554

精确质量

612.2696329

电荷

InChI

InChI=1S/C33H36N6O6/c1-21-17-29(40)45-28-19-24(14-15-25(21)28)37-30(41)26(13-8-16-36-32(34)35)38-31(42)27(18-22-9-4-2-5-10-22)39-33(43)44-20-23-11-6-3-7-12-23/h2-7,9-12,14-15,17,19,26-27H,8,13,16,18,20H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,34,35,36)/t26-,27-/m0/s1

InChIKey

ZZGDDBWFXDMARY-SVBPBHIXSA-N

Canonic Smiles

NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

Isomeric Smiles

Cc1cc(=O)oc2c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c2

计算属性

JChem

Acid pKa

12.303196

质子受体

质子供体