기본 정보
- CAS
86042-50-4- 표준 SMILES
CN(Cc1cc(Br)cc(Br)c1NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1)NC(=O)OCc1ccccc1)C1CCCCC1- InChIKey
UVOSLKVETODLTR-CXNSMIOJSA-N- 분자식
- C50H60Br4N6O6S2
- 평균 분자량
- 1,224.8 g/mol
- 단동위원소 질량
- 1,220.07493
개요
Cistinexine is a small molecule drug. Cistinexine has a monoisotopic molecular weight of 1220.07 Da.
이름 및 식별자
- 우선 이름
- Cistinexine
- IUPAC
- benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
- 영어명
- benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate
- 분자식
- C50H60Br4N6O6S2
- 분자량
- 1224.8
이름 및 동의어
CistinexineCistinexinaCistinexinum86042-50-462VR67FK8EDTXSID50235360N,N'-Bis(benzyloxycarbonyl)cystine-bis(2,4-dibromo-6-(N-cyclohexyl-N-methyl)aminomethyl)anilide dihydrochlorideRefChem:126494DTXCID50157851Rec-15-1884-2Cistinexine [INN]Cistinexinum [Latin]
이름 더 보기
Dibenzyl ((2R,2'R)-disulfanediylbis(1-((2,4-dibromo-6-((cyclohexyl(methyl)amino)methyl)phenyl)amino)-1-oxopropane-3,2-diyl))dicarbamatebenzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate
Cistinexina [Spanish]2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, (R-(R*,R*))-UNII-62VR67FK8E2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis[[[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]amino]carbonyl]-3-oxo-1-phenyl-, phenylmethyl ester, [R-(R*,R*)]-CISTINEXINE [MART.]N,N'-Bisbenzilossicarbonilcistin-bis(2,4-dibromo-6-(N-cicloesil-N-metil)aminometil)anilideN,N'-Di(benzyloxycarbonyl)cysteine di(4,6-dibromo-2-(N-cyclohexyl-N-methylaminomethyl)anilide)SCHEMBL636625
물성
구조 계산 물성
- XLogP
- 11.3
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 1,430
물리화학적 성질
- 끓는 점
- 1106.766 · 1106.766±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.593 · 1.593±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.141 · 10.141±0.46(predicted)
화학 및 산업
공급사1 곳
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
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