CAS 114331-06-5|CAS 6366-70-7|benzyl (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate hydrochloride|N6-Cbz-L-Lysine benzyl ester hydrochloride|benzyl (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}h...

基本信息

化学结构

分子式

C₂₁H₂₇ClN₂O₄

分子量

406.90308

精确质量

406.16593503

电荷

InChI

InChI=1S/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1

InChIKey

XHBTZNKKLKICJY-FYZYNONXSA-N

Canonic Smiles

O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)OCc1ccccc1)N.Cl

Isomeric Smiles

C(=O)([C@@H](N)CCCCNC(=O)OCc1ccccc1)OCc1ccccc1.Cl

计算属性

JChem

Acid pKa

15.509419

质子受体

质子供体

LogD (pH = 5.5)

1.4499179

LogD (pH = 7.4)

3.0228999

Log P

3.322366

摩尔折射率

102.8712

极化性

40.679466

极化表面积

90.65

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

benzyl (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate hydrochloride

IUPAC传统名

benzyl (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate hydrochloride

别名

N6-Cbz-L-Lysine benzyl ester hydrochlorideEPSILON-CARBOBENZOXY-L-LYSINE BENZYL ESTER HClH-Lys(Z)-OBzl hydrochlorideNε-Z-L-赖氨酸苄酯盐酸盐Nε-Z-L-lysine benzyl ester hydrochlorideH-Lys(Z)-OBzl 盐酸盐N6-Carbobenzoxy-L-lysine Benzyl Ester HydrochlorideN6-[(Phenylmethoxy)carbonyl]-L-lysine Phenylmethyl Ester HydrochlorideN6-Carbobenzyloxy-L-lysine Benzyl Ester HydrochlorideNSC 88180

名称和标识

数据登录号

PubChem SID

CAS号

PubChem CID

MDL号

EC号