기본 정보
- CAS
198904-08-4- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C- InChIKey
JFRXBUNFYMOCOU-LTUSVDMXSA-N- 분자식
- C35H48N6O7S
- 평균 분자량
- 696.9 g/mol
- 단동위원소 질량
- 696.33051888
이름 및 식별자
- 우선 이름
- methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
- IUPAC
- methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
- 영어명
- 1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-va ly)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-az ahexane
- 분자식
- C35H48N6O7S
- 분자량
- 696.86
이름 및 동의어
198904-08-4methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-valy)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneJFRXBUNFYMOCOU-LTUSVDMXSA-N1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-valy)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, dimethyl ester, [3S-[3R*,8R*,9R*,12R*(R*)]]-SCHEMBL6258DTXSID601736631-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-va ly)amino]-5(S)-N-(N-methoxyca1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneMethyl [(5S,8S,9S,14S)-8-benzyl-5-[(2S)-butan-2-yl]-9-hydroxy-15-methyl-3,6,13-trioxo-11-{[4-(1,3-thiazol-2-yl)phenyl]methyl}-2-oxa-4,7,11,12-tetraazahexadecan-14-yl]carbamate
이름 더 보기
1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-va ly)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-az ahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-[(1S)-1-methylpropyl]-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-
데이터베이스 식별자
- CAS
198904-08-4- PubChem CID
- 467968
- DTXSID
DTXSID60173663
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.03 · 11.03±0.46(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
관련 반응
4건
화합물 노트
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