(R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic Acid
기본 정보
- 표준 SMILES
O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1- InChIKey
CIMKOGIZNGKVDX-HHHXNRCGSA-N- 분자식
- C32H31F6N3O5
- 평균 분자량
- 651.6 g/mol
이름 및 식별자
- 우선 이름
- (R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic Acid
- IUPAC
- (2R)-3-[[4-[[N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
이름 및 동의어
(R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino]-2-hydroxypropionic Acid(R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acidSCHEMBL2652795(R)-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-cyclohexylphenyl)ureidomethyl]benzoyl-amino}-2-hydroxypropionic acid
데이터베이스 식별자
- PubChem CID
- 10168450
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 999
관련 반응
2건
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