N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine

HCID 7010551

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61925-77-7
표준 SMILES: Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1
InChIKey: CUNVVZWSABRKAL-ZDUSSCGKSA-N
분자식: C16H23NO4S
평균 분자량: 325.4 g/mol
단동위원소 질량: 325.13477939

이름 및 식별자

우선 이름: N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine
IUPAC: (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: Boc-S-(4-methylbenzyl)-L-cysteine
분자식: C16H23NO4S
분자량: 325.42

이름 및 동의어

N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteineRefChem:829022958-165-861925-77-7Boc-Cys(Mbzl)-OHBoc-Cys(pMeBzl)-OHBoc-L-Cys(pMeBzl)-OHBoc-S-p-methylbenzyl-L-cysteineMFCD00038517L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-M03274N-(tert-Butoxycarbonyl)-S-(4-methylbenzyl)-L-cysteine

이름 더 보기

BOC-CYS(MEBZL)Boc-cys(PmeBzl)BOC-CYS(4-CH3BZL)BOC-CYS(P-MET-BZL)BOC-L-CYS(MBZL)-OHBOC-CYS(4-MBZL)-OHBOC-CYS(CH3BZL)-OHBOC-L-CYS(4-CH3BZL)

Boc-Cys(4-MeBzl)-OHBoc-L-Cys(p-MeBzl)-OHSCHEMBL4422552N-(tert-Butoxycarbonyl)-S-(4-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidCUNVVZWSABRKAL-ZDUSSCGKSA-NBoc--HoAsn-OH Boc--homoasparagineAKOS015897339

데이터베이스 식별자

CAS: 61925-77-7
PubChem CID: 7010551
EC Number: 958-165-8
Nikkaji: J1.330.078J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 22
형식 전하: 0
복잡도: 373

물리화학적 성질

녹는점: 63 · 63-66 °C
끓는 점: 493.8 · 493.8±45.0 °C(Predicted)
밀도: 1.181 · 1.181±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 가루
산도 계수 (pKa): 3.57 · 3.57±0.10(Predicted)
BRN: 3594717 · 3594717
주요 응용: 펩타이드 합성
InChI: 1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKey: CUNVVZWSABRKAL-UHFFFAOYSA-N
SMILES: S(CC(NC(=O)OC(C)(C)C)C(=O)O)Cc1ccc(cc1)C

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.