기본 정보
- CAS
147862-03-1- 표준 SMILES
O=C(O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
JTQWXNZXTRVPHN-LJAQVGFWSA-N- 분자식
- C31H31N2O6P
- 평균 분자량
- 558.6 g/mol
- 단동위원소 질량
- 558.19197334
개요
a neutral endopeptidase (NEP) inhibitor; structure given in first source
이름 및 식별자
- 우선 이름
- Cgs 25462
- IUPAC
- 3-[[(2S)-2-(diphenoxyphosphorylmethylamino)-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
이름 및 동의어
Cgs-25462Cgs 25462147862-03-1UP2R15WBF4beta-Alanine, N-(3-(1,1'-biphenyl)-4-yl-N-((diphenoxyphosphinyl)methyl)-L-alanyl)-RefChem:124843CGS254623-(N-(2-(((Diphenylphosphono)methyl)amino)-3-(4-biphenylyl)propionyl)amino)propionic acidUNII-UP2R15WBF4CHEMBL147342orb1738913SCHEMBL7312208
이름 더 보기
DTXSID10933234JTQWXNZXTRVPHN-LJAQVGFWSA-N(S)-N-[2-(diphenylphosphonomethylamino)-3-(4-biphenylyl)-propionyl]-3-aminopropionic acid(S)-N-[2-(diphenylphosphonomethylamino)-3-(4-biphenylyl)propionyl]-3-aminopropionic acid.BETA.-ALANINE, 3-(1,1'-BIPHENYL)-4-YL-N-((DIPHENOXYPHOSPHINYL)METHYL)-L-ALANYL-3-(1,1'-BIPHENYL)-4-YL-N-((DIPHENOXYPHOSPHINYL)METHYL)-L-ALANYL-.BETA.-ALANINEN-[(2S)-3-([1,1'-Biphenyl]-4-yl)-2-{[(diphenoxyphosphoryl)methyl]amino}-1-hydroxypropylidene]-beta-alanineN-[3-([1,1'-Biphenyl]-4-yl)-2-{[(diphenoxyphosphoryl)methyl]amino}-1-hydroxypropylidene]-beta-alanine
데이터베이스 식별자
- CAS
147862-03-1- PubChem CID
- 132812
- DTXSID
DTXSID10933234- ChEMBL
CHEMBL147342- UNII
- UP2R15WBF4
- Nikkaji
- J945.346F
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 791
관련 반응
10건
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