Benzenepropanoic acid, 4-cyano-3-((2R)-3-((2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride (1:1)
기본 정보
- CAS
351490-72-7- 표준 SMILES
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)ccc1C#N.Cl- InChIKey
WVXHWCHBKCXTJA-GNAFDRTKSA-N- 분자식
- C26H33ClN2O4
- 평균 분자량
- 473 g/mol
- 단동위원소 질량
- 472.2128852
이름 및 식별자
- 우선 이름
- Benzenepropanoic acid, 4-cyano-3-((2R)-3-((2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride (1:1)
- IUPAC
- 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid;hydrochloride
- 영어명
- NPSP795
- 분자식
- C26H33ClN2O4
- 분자량
- 473.01
이름 및 동의어
351490-72-7SB-423562 hydrochlorideH93SZ578HLSB-423562 HClUNII-H93SZ578HLBenzenepropanoic acid, 4-cyano-3-((2R)-3-((2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride (1:1)Benzenepropanoic acid, 4-cyano-3-[(2R)-3-[[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropoxy]-, hydrochloride (1:1)orb1699383SCHEMBL3347811WVXHWCHBKCXTJA-GNAFDRTKSA-NGLXC-22529AKOS040749427
이름 더 보기
SHP-635NPSP795NPSP-795SB-423562ASB-423562-ASB423562 HCl,SB 423562 HCl
T28691(R)-3-(4-cyano-3-(3-((1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)phenyl)propanoic acid hydrochloride3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid;hydrochloride3-{4-Cyano-3-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 643
관련 반응
2건
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