기본 정보
- CAS
165315-21-9- 표준 SMILES
CC(C)c1nc(CCOC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
QMADZRJIMKMMAK-BBXFGWPUSA-N- 분자식
- C37H47N5O6S2
- 평균 분자량
- 721.9 g/mol
- 단동위원소 질량
- 721.29677622
이름 및 식별자
- 우선 이름
- 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
- IUPAC
- 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
165315-21-912-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,5R*,6R*,9R*)]-SCHEMBL7185153DTXSID10167916QMADZRJIMKMMAK-BBXFGWPUSA-N(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy) carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino )-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
13건
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