기본 정보
- CAS
105262-04-2- 표준 SMILES
CC1(C)OCC(COC(=O)C(Cc2ccccc2)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)O)O1- InChIKey
GWLFRMJMKXSMSR-KOENEWCDSA-N- 분자식
- C27H34N2O7
- 평균 분자량
- 498.6 g/mol
- 단동위원소 질량
- 498.23660143
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Sch 34826
- IUPAC
- 3-[[(2S)-2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoyl]amino]propanoic acid
- 영어명
- Sch 34826
- 분자식
- C27H34N2O7
- 분자량
- 498.56806
이름 및 동의어
Sch 34826105262-04-2beta-Alanine, N-(N-(2-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-2-oxo-1-(phenylmethyl)ethyl)-L-phenylalanyl)-RefChem:181731Sch-348263-[[(2S)-2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoyl]amino]propanoic acidN-(N-(1-(((2,2-Dimethyl-1,3-dioxolan-4-yl) methoxy)carbonyl)-2-phenylethyl)phenylalanine)alanineSCHEMBL489561orb1699360DTXSID00909403AKOS0407494493-((2S)-2-((1-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-1-oxo-3-phenylpropan-2-yl)amino)-3-phenylpropanamido)propanoic acid
이름 더 보기
N-[N-[2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxo-1-(phenylmethyl)ethyl]-L-phenylalanyl]-β-alanine
HY-19063T28715N-[(2S)-2-({1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl}amino)-1-hydroxy-3-phenylpropylidene]-beta-alanineN-[2-({1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl}amino)-1-hydroxy-3-phenylpropylidene]-beta-alanine
데이터베이스 식별자
- CAS
105262-04-2- PubChem CID
- 122184
- DTXSID
DTXSID00909403- Nikkaji
- J138.632H
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 717
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
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