tert-butyl(3R)-6-cyclohexyl-3-({[(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoate

HCID 59909824

기본 정보

표준 SMILES
CCOC(=O)[C@H](CO)NC(=O)[C@H](CCCC1CCCCC1)CC(=O)OC(C)(C)C
InChIKey
PVEXZPMDTLUWNA-MSOLQXFVSA-N
분자식
C22H39NO6
평균 분자량
413.5 g/mol
단동위원소 질량
413.27773796

이름 및 식별자

우선 이름
tert-butyl(3R)-6-cyclohexyl-3-({[(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoate
IUPAC
tert-butyl (3R)-6-cyclohexyl-3-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]carbamoyl]hexanoate

이름 및 동의어

SCHEMBL5421862PVEXZPMDTLUWNA-MSOLQXFVSA-Ntert-Butyl (3R)-6-cyclohexyl-3-({[(1 S)-2-ethoxy-1 -(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoatetert-butyl (3R)-6-cyclohexyl-3-({[(1 S)-2-ethoxy-1-(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoatetert-Butyl (3R)-6-cyclohexyl-3-({[(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoatetert-butyl(3R)-6-cyclohexyl-3-({[(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxoethyl]amino}carbonyl)hexanoate

데이터베이스 식별자

PubChem CID
59909824

물성

구조 계산 물성

XLogP
4.1
극성 표면적
102 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
14
무거운 원자 수
29

관련 반응

9건

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