기본 정보
- CAS
126333-30-0- 표준 SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C)C(C)C- InChIKey
LTFAPJKCVABIFU-SVDJVBGPSA-N- 분자식
- C40H64N6O11
- 평균 분자량
- 805 g/mol
- 단동위원소 질량
- 804.46330688
이름 및 식별자
- 우선 이름
- Boc-SAA-7-VV-OMe
- IUPAC
- methyl (2S)-2-[[(2S)-2-[[(1S,2S)-2-[(1S,2S)-1-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropyl]cyclopentanecarbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
이름 및 동의어
Boc-SAA-7-VV-OMe126333-30-0L-Valine, N-(N-((2-(2-((N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-alanyl)-L-alanyl)amino)-1-hydroxy-3-phenylpropyl)cyclopentyl)carbonyl)-L-valyl)-, methyl ester, (1S-(1alpha,2beta(1S*,2R*)))-DTXSID00155145L-Valine, N-[N-[[2-[2-[[N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-L-alanyl]-L-alanyl]amino]-1-hydroxy-3-phenylpropyl]cyclopentyl]carbonyl]-L-valyl]-, methyl ester, [1S-[1a,2b(1S*,2R*)]]-methyl (2S)-2-[[(2S)-2-[[(1S,2S)-2-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-1-hydroxy-3-phenyl-propyl]cyclopentanecarbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoateN-(tert-Butoxycarbonyl)-L-seryl-L-alanyl-N-{(1S,2S)-1-hydroxy-1-[(1S,2S)-2-{[(2S)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamoyl}cyclopentyl]-3-phenylpropan-2-yl}-L-alaninamide
데이터베이스 식별자
- CAS
126333-30-0- PubChem CID
- 5479161
- DTXSID
DTXSID00155145
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 251 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,380
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