디페닐메틸7베타-Tert-부톡시카르보닐아미노-3-클로로메틸-3-세펨-4-카르복실레이트

(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HCID 11756232

기본 정보

CAS
112028-91-8
표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12
InChIKey
SYRVNJKDYWWNHD-AUSIDOKSSA-N
분자식
C26H27ClN2O5S
평균 분자량
515 g/mol
단동위원소 질량
514.13292064

이름 및 식별자

우선 이름
(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
benzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
현지명
디페닐메틸7베타-Tert-부톡시카르보닐아미노-3-클로로메틸-3-세펨-4-카르복실레이트
영어명
Diphenylmethyl 7beta-Tert-Butoxycarbonylamino-3-Chloromethyl-3-Cephem-4-Carboxylate
분자식
C26H27ClN2O5S
분자량
515.02

이름 및 동의어

112028-91-8(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylateC26H27ClN2O5Sbenzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSYRVNJKDYWWNHD-AUSIDOKSSA-NSCHEMBL5148598DTXSID90471907AKOS015999169AC-8825(6R,7R)-Benzhydryl7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatebenzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem 4-carboxylate
이름 더 보기
디페닐메틸7베타-Tert-부톡시카르보닐아미노-3-클로로메틸-3-세펨-4-카르복실레이트BOC-ACLH6-methyl-2-propan-2-yl-1,4-dihydropyrimidineDiphenylmethyl 7beta-Tert-Butoxycarbonylamino-3-Chloromethyl...7β-tert-Butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate7β-tert-ButoxycarbonylaMino-3-chloroMethyl-3-cepheM- 4-carboxylate7β-(tert-Butoxycarbonylamino)-3-(chloromethyl)-3-cephem-4-carboxylicAcidDiphenylmethylEster(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.
benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate(6R,7R)-3-(Chloromethyl)-7-[[(tert-butoxy)carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl esterDiphenylmethyl (6R,7R)-7-[(tert-butoxycarbonyl)amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

데이터베이스 식별자

CAS
112028-91-8
PubChem CID
11756232
DTXSID
DTXSID90471907
Nikkaji
J346.004E

물성

구조 계산 물성

XLogP
4.2
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
9
무거운 원자 수
35

물리화학적 성질

끓는 점
685.7 · 685.7±55.0 °C(Predicted)
밀도
1.36 · 1.36
저장 조건
2 · 2-8°C
산도 계수 (pKa)
10.16 · 10.16±0.60(Predicted)

화학 및 산업

공급사47 곳

湖北博杰生物科技有限公司0713-2060728 15629612610
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

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