(S)-di-tert-butyl 2-(3-((S)-1-tert-butoxy-6-(8-(2,5-dioxopyrrolidin-1-yloxy)-8-oxooctanamido)-1-oxohexan-2-yl)ureido)pentanedioate

HCID 86643493

기본 정보

표준 SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey
FOYBQHHNRGUROF-DQEYMECFSA-N
분자식
C36H60N4O12
평균 분자량
740.9 g/mol

이름 및 식별자

우선 이름
(S)-di-tert-butyl 2-(3-((S)-1-tert-butoxy-6-(8-(2,5-dioxopyrrolidin-1-yloxy)-8-oxooctanamido)-1-oxohexan-2-yl)ureido)pentanedioate
IUPAC
ditert-butyl (2S)-2-[[(2S)-6-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate

이름 및 동의어

1228927-42-1SCHEMBL1739335tert-Butyl-DCL-hexyl-NHS esterFOYBQHHNRGUROF-DQEYMECFSA-NEX-A13752Q(5)-di-tert-butyl 2-(3-((S)-1-tert-butoxy-6-(8-(2,5-dioxopyrrolidin-1-yloxy)-8-oxooctanamido)-1-oxohexan-2-yl)ureido)pentanedioate(S)-di-tert-butyl 2-(3-((S)-1-tert-butoxy-6-(8-(2,5-dioxopyrrolidin-1-yloxy)-8-oxooctanamido)-1-oxohexan-2-yl)ureido)pentanedioateDi-tert-butyl (((S)-1-(tert-butoxy)-6-(8-((2,5-dioxopyrrolidin-1-yl)oxy)-8-oxooctanamido)-1-oxohexan-2-yl)carbamoyl)-L-glutamate

데이터베이스 식별자

PubChem CID
86643493

물성

구조 계산 물성

XLogP
3.5
극성 표면적
213 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
27
무거운 원자 수
52

관련 반응

12건

화합물 노트

불러오는 중…