3-{4-[3-[1(S)-(4-Chlorophenyl)ethyl]-1-(4-cyclohexylphenyl)ureidomethyl]benzoyl-amino}propionic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)CCNC(=O)c1ccc(CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccc(C3CCCCC3)cc2)cc1- InChIKey
CLAKUADVAFPABW-QHCPKHFHSA-N- 분자식
- C33H38ClN3O4
- 평균 분자량
- 576.1 g/mol
이름 및 식별자
- 우선 이름
- 3-{4-[3-[1(S)-(4-Chlorophenyl)ethyl]-1-(4-cyclohexylphenyl)ureidomethyl]benzoyl-amino}propionic acid methyl ester
- IUPAC
- methyl 3-[[4-[[N-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]propanoate
이름 및 동의어
SCHEMBL2650721CLAKUADVAFPABW-QHCPKHFHSA-N3-{4-[3-[1(S)-(4-chloro-phenyl)ethyl]-1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}propionic acid methyl ester3-{4-[3-[1(S)-(4-chloro-phenyl)ethyl]1-(4-cyclohexylphenyl)ureidomethyl]benzoylamino}propionic acid methyl ester3-{4-[3-[1(S)-(4-Chlorophenyl)ethyl]-1-(4-cyclohexylphenyl)ureidomethyl]benzoyl-amino}propionic acid methyl ester3-{4-[3-[1(S)-(4-Chlorophenyl)ethyl]1-(4-cyclohexylphenyl)ureidomethyl]benzoyl-amino}propionic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 67483889
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 826
관련 반응
2건
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