기본 정보
- 표준 SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
SXCDYMWHVBJDJZ-ZXHYAQOVSA-N- 분자식
- C27H44N2O6
- 평균 분자량
- 492.6 g/mol
이름 및 식별자
- 우선 이름
- (3R,4S,5S)-tert-butyl 4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate
- IUPAC
- tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]heptanoate
이름 및 동의어
120205-52-9tert-Butyl (3R,4S,5S)-4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate(3R,4S,5S)-tert-butyl 4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoateSCHEMBL13733424SXCDYMWHVBJDJZ-ZXHYAQOVSA-NMFCD28386979SY357831tert-Butyl (3R,4S,5S)-4-[(S)-2-(Cbz-amino)-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoatetert-Butyl (3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-L-valyl}(methyl)amino]-3-methoxy-5-methyl-heptanoatetert-butyl (3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-L-valyl}(methyl)amino]-3-methoxy-5-methylheptanoatetert-butyl (3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-valyl}(methyl)amino]-3-methoxy-5-methylheptanoatetert-butyl (3R,4S,5S)-4-[N-[(benzyloxy)carbonyl]-L-valyl (methyl)amino]-3-methoxy-5-methylheptanoate
이름 더 보기
tert.-butyl-(3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-L-valyl}(methyl)amino]-3-methoxy-5-methylheptanoate
데이터베이스 식별자
- PubChem CID
- 10529182
- Nikkaji
- J725.111D
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 94.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 669
관련 반응
17건
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