기본 정보
- 표준 SMILES
C=CC(C)(C)NC(C(=O)N1CCCC1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C- InChIKey
PFXJYHPNSWNJBP-UHFFFAOYSA-N- 분자식
- C28H40N4O5
- 평균 분자량
- 512.6 g/mol
- 단동위원소 질량
- 512.29987039
개요
Muscoride A is a valine derivative.
이름 및 식별자
- 우선 이름
- Muscoride A
- IUPAC
- 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
이름 및 동의어
Muscoride ADTXSID5010474763-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate3-methylbut-2-enyl 5-methyl-2-(5-methyl-2-(1-(3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl)pyrrolidin-2-yl)-1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylateRefChem:160187DTXCID101529092164672-63-3NSC688308CHEBI:222761[2,4'-Bioxazole]-4-carboxylic acid, 2'-[1-[2-[(1,1-dimethyl-2-propenyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-5,5'-dimethyl-, 3-methyl-2-butenyl ester3-methylbut-2-enyl 2-[2-[1-[2-(1,1-dimethylallylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-5-methyl-oxazol-4-yl]-5-methyl-oxazole-4-carboxylate
데이터베이스 식별자
- PubChem CID
- 496385
- DTXSID
DTXSID501047476- ChEBI
CHEBI:222761
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 856
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