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기본 정보
- CAS
165315-37-7- 표준 SMILES
CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@H](Cc2cncs2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
ILSBRXLQEGYAHW-KERJZVRCSA-N- 분자식
- C33H42N6O6S3
- 평균 분자량
- 714.9 g/mol
- 단동위원소 질량
- 714.2327966
이름 및 식별자
- 우선 이름
- thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[(2-isopropylthiazol-4-yl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-5-thiazol-5-yl-pentyl]carbamate
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxycarbonylamino]butanoyl]amino]-1-phenyl-6-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
이름 및 동의어
165315-37-72-Oxa-4,7,12-triazatridecan-13-oic acid, 10-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-11-(phenylmethyl)-8-(5-thiazolylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-(2S,3S,5S)-5-(N-(N-((2-Isopropyl-4-thiazolyl)methoxycarbonyl)valinyl)amino)-1-phenyl-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-6-(5-thiazolyl)-3-hydroxyhexane(2S,3S,5S)-5-(N-{N-((2-Isopropyl-4-thiazolyl)methoxycarbonyl)valinyl)amino)-1-phenyl-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-6-(5-thiazolyl)-3-hydroxyhexane2-Oxa-4,7,12-triazatridecan-13-oic acid, 10-hydroxy-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-11-(phenylmethyl)-8-(5-thiazolylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-SCHEMBL7181349DTXSID10937075ILSBRXLQEGYAHW-KERJZVRCSA-Nthiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[(2-isopropylthiazol-4-yl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-5-thiazol-5-yl-pentyl]carbamate(2S)-N-[(2S,4S,5S)-4-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]-2-[(hydroxy{[2-(propan-2-yl)-1,3-thiazol-4-yl]methoxy}methylidene)amino]-3-methylbutanimidic acidN-[4-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]-2-[(hydroxy{[2-(propan-2-yl)-1,3-thiazol-4-yl]methoxy}methylidene)amino]-3-methylbutanimidic acid
데이터베이스 식별자
- CAS
165315-37-7- PubChem CID
- 482967
- DTXSID
DTXSID10937075
물성
구조 계산 물성보충 중
- XLogP
- 5.5
- 극성 표면적
- 249 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
21건
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