(3R,4S,5S)-tert-butyl 4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate

HCID 10529182

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

관련 반응

17건

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