기본 정보
- CAS
141261-96-3- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O- InChIKey
HMZMYOYMDHRAIZ-GYKAHYMZSA-N- 분자식
- C40H56N6O11
- 평균 분자량
- 796.9 g/mol
- 단동위원소 질량
- 796.40070662
개요
a delta opioid receptor antagonist; amino acid sequence given in first source
이름 및 식별자
- 우선 이름
- (1,1-Dimethylethoxy)carbonyl-tyrosyl-prolyl-glycyl-phenylalanyl-leucyl-threonine
- IUPAC
- (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanoic acid
- 영어명
- Boc-Tyr-Pro-Gly-Phe-Leu-Thr-OH
- 분자식
- C40H56N6O11
- 분자량
- 796.91
이름 및 동의어
141261-96-3Boc-tyr-pro-gly-phe-leu-thr(1,1-Dimethylethoxy)carbonyl-tyrosyl-prolyl-glycyl-phenylalanyl-leucyl-threonineRefChem:68081(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanoic acidL-Threonine, N-[N-[N-[N-[1-[N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl]-L-prolyl]glycyl]-L-phenylalanyl]-L-leucyl]- (9CI)(2S,3R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxybutanoic acidDTXSID30931055(6S,9S,12S)-6-Benzyl-1-((S)-1-((S)-2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl)-12-((R)-1-hydroxyethyl)-9-isobutyl-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oic acidN-[(2S)-2-{[(2S)-2-{[2-({[(2S)-1-{N-[tert-Butoxy(hydroxy)methylidene]-L-tyrosyl}pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-4-methylpentylidene]-L-threonine
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,390
물리화학적 성질
- 끓는 점
- 1153.7 · 1153.7±65.0 °C(Predicted)
- 밀도
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- 저장 조건
- -15 °C · -15°C
- 산도 계수 (pKa)
- 3.25 · 3.25±0.10(Predicted)
화학 및 산업
공급사15 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
南京成其美生物科技有限公司19850819832 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
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