기본 정보
- CAS
162990-01-4- 표준 SMILES
CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
NCDNCNXCDXHOMX-UHFFFAOYSA-N- 분자식
- C37H48N6O5S2
- 평균 분자량
- 720.9 g/mol
개요
N-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester is a N-acyl-amino acid.
이름 및 식별자
- 우선 이름
- N-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
- 현지명
- 리토나비르
- 영어명
- RITONAVIR
- 분자식
- C37H48N6O5S2
- 분자량
- 720.94
이름 및 동의어
162990-01-4s1185(1,3-Thiazol-5-yl)methyl N-[3-hydroxy-5-(3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido)-1,6-diphenylhexan-2-yl]carbamate1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamateN-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl esterC37H48N6O5S2Ritonavir?orb1226107SCHEMBL3178401CHEBI:94317DTXSID60861417HMS3369I13
이름 더 보기
리토나비르2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester
HMS3393B08HMS3654E18HMS5079C131,3-Thiazol-5-ylmethyl N-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenySYB67323SB19160LS-15398EN300-296205
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,040
실험 및 물리화학적 성질
DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 947 · 947.0±65.0 °C(Predicted)
- 밀도
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.47 · 11.47±0.46(Predicted)
화학 및 산업
공급사1 곳
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
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