기본 정보
- 표준 SMILES
CC(C)[C@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(C)C- InChIKey
AHSNCXWWIWVEDP-BYAJYZPISA-N- 분자식
- C50H72N10O10S2
- 평균 분자량
- 1,037.3 g/mol
이름 및 식별자
- 우선 이름
- (2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane
- IUPAC
- tert-butyl N-[4-[[[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
이름 및 동의어
SCHEMBL7331862AHSNCXWWIWVEDP-BYAJYZPISA-N(2S,3R,4S,5S)-2,5-Bis- (N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane(2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane(2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1.6-diphenylhexane
데이터베이스 식별자
- PubChem CID
- 18655498
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 322 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,640
관련 반응
7건
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