기본 정보
- CAS
165315-38-8- 표준 SMILES
CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@@H](Cc2cncs2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
DSZQSWYKXACUMT-KERJZVRCSA-N- 분자식
- C33H42N6O6S3
- 평균 분자량
- 714.9 g/mol
- 단동위원소 질량
- 714.23279606
이름 및 식별자
- 우선 이름
- (2-isopropylthiazol-4-yl)methyl N-[(1S)-1-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-thiazol-5-yl-4-(thiazol-5-ylmethoxycarbonylamino)pentyl]carbamoyl]-2-methyl-propyl]carbamate
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxycarbonylamino]butanoyl]amino]-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
이름 및 동의어
165315-38-82-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8-(phenylmethyl)-11-(5-thiazolylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,9R*,11R*))-2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8-(phenylmethyl)-11-(5-thiazolylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,9R*,11R*)]-SCHEMBL7179449DTXSID70937076DSZQSWYKXACUMT-KERJZVRCSA-N(2-isopropylthiazol-4-yl)methyl N-[(1S)-1-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-thiazol-5-yl-4-(thiazol-5-ylmethoxycarbonylamino)pentyl]carbamoyl]-2-methyl-propyl]carbamate(2S)-N-[(2S,3S,5S)-3-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1-phenyl-6-(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(2S,3S,5S)-2-(N-(N-((2-Isopropyl-4-thiazoly)methoxycarbonyl)valinyl)amino)-1-phenyl-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-6-(5-thiazolyl)-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-Isopropyl-4-thiazolyl)methoxycarbonyl)valinyl)amino)-1-phenyl-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-6-(5-thiazolyl)-3-hydroxyhexane
물성
구조 계산 물성
- 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
12건
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