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기본 정보
- CAS
198903-95-6- 표준 SMILES
COC(=O)N[C@@H](CSC)C(=O)NN(Cc1ccc(-c2cncs2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C- InChIKey
APTIZNCZOZNDMV-QFVIIZQESA-N- 분자식
- C33H44N6O7S2
- 평균 분자량
- 700.884 g/mol
- 단동위원소 질량
- 700.27128975
이름 및 식별자
- 우선 이름
- 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-((methylthio)methyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-
- IUPAC
- Methyl [(5R,10S,11S,14S)-11-benzyl-10-hydroxy-15-methyl-5-[(methylsulfanyl)methyl]-3,6,13-trioxo-8-{[4-(1,3-thiazol-5-yl)phenyl]methyl}-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate
- 영어명
- methyl N-[(1R)-1-[[[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino )-3-methyl-butanoyl]amino]-4-phenyl-butyl]-[[4-(1,3-thiazol-5-yl)pheny l]methyl]amino]carbamoyl]-2-methylsulfanyl-ethyl]carbamate
- 분자식
- C33H44N6O7S2
- 분자량
- 700.87
이름 및 동의어
2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-[(methylthio)methyl]-4,11-dioxo-9-(phenylmethyl)-6-[[4-(5-thiazolyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-methyl N-[(1R)-1-[[[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino )-3-methyl-butanoyl]amino]-4-phenyl-butyl]-[[4-(1,3-thiazol-5-yl)pheny l]methyl]amino]carbamoyl]-2-methylsulfanyl-ethyl]carbamate
데이터베이스 식별자
- CAS
198903-95-6- PubChem CID
- 467955
- DTXSID
DTXSID90173656
물성
물리화학적 성질
- 밀도
- 1.269 · 1.269±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.557 · 10.557±0.46(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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