(1R,3S)-3-(카르보벤족시아미노)시클로헥산카르복실산

rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acid

HCID 23584443

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1259278-10-8
표준 SMILES: O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1
InChIKey: LTEORMGXUMWZCU-OLZOCXBDSA-N
분자식: C15H19NO4
평균 분자량: 277.31 g/mol
단동위원소 질량: 277.13140809

이름 및 식별자

우선 이름: rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acid
IUPAC: cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
현지명: (1R,3S)-3-(카르보벤족시아미노)시클로헥산카르복실산
영어명: (1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid
분자식: C15H19NO4
분자량: 277.32

이름 및 동의어

rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acidrel-(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acidRefChem:8790991259278-10-8(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid(1R,3S)-3-{[(Benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid(1R,3S)-3-(((BENZYLOXY)CARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID952616-39-6MFCD20259654Z-1,3-CIS-ACHC-OHCyclohexanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, (1R,3S)-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

이름 더 보기

(1R,3S)-3-(카르보벤족시아미노)시클로헥산카르복실산(1R,3S)-3-(Cbz-amino)cyclohexanecarboxylic Acid(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid >(1R,3S)-3-(Benzyloxycarbonylamino)cyclohexanecarboxylic Acid(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid

(1R,3S)-rel-3-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acidZ-cis-3-aminocyclohexanecarboxylic acidLTEORMGXUMWZCU-OLZOCXBDSA-NAS-71560T71495EN300-20767472SCHEMBL10007541DTXSID40635077

데이터베이스 식별자

CAS: 1259278-10-8、952616-39-6
PubChem CID: 23584443
DTXSID: DTXSID40635077
EC Number: 678-375-0

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 339

물리화학적 성질

물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKey: LTEORMGXUMWZCU-OLZOCXBDSA-N
SMILES: [C@@H]1(C(O)=O)CCC[C@H](NC(OCC2=CC=CC=C2)=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2921.30.3000

화학 및 산업

응용 분야 · 1건

용도(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic acid is a chiral organic building block featuring a carbobenzyloxy (Cbz) protected amino group. It is widely used in pharmaceutical synthesis for developing targeted enzyme inhibitors and cyclic peptides.

공급사23 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

海济医药科技（苏州）有限公司18012778619 · [email protected]

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