(R)-3-(4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic acid ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1- InChIKey
DXEZDOCPDROSKA-GDLZYMKVSA-N- 분자식
- C34H35F6N3O5
- 평균 분자량
- 679.6 g/mol
이름 및 식별자
- 우선 이름
- (R)-3-(4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic acid ethyl ester
- IUPAC
- ethyl (2R)-3-[[4-[[N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]-2-hydroxypropanoate
이름 및 동의어
(R)-3-(4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic acid ethyl ester(R)-3-(4-[3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino)-2-hydroxypropionic acid ethyl ester(R)-3-{4-[3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid ethyl esterSCHEMBL2646940(R)-3-{4-[3-(3,5-bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureido- methyl]benzoylamino}-2-hydroxypropionic acid ethyl ester(R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl] benzoyl-amino}-2-hydroxypropionic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 86586059
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
4건
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