Kdi 792
기본 정보
- CAS
130047-30-2- 표준 SMILES
Cl.O=C(O)CCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1cccnc1- InChIKey
JGCFJVFIRFTRKJ-YOLZMAEBSA-N- 분자식
- C22H27Cl2N3O4S
- 평균 분자량
- 500.4 g/mol
이름 및 식별자
- 우선 이름
- Kdi 792
- IUPAC
- (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochloride
- 영어명
- 5-Hexenoic acid,6-[(2S,4R)-4-[[(4-chlorophenyl)sulfonyl]amino]-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-,hydrochloride (1:1), (5Z)-
- 분자식
- C22H26ClN3O4S.ClH
- 분자량
- 500.43848
이름 및 동의어
Kdi 792KDI-792130047-30-2RefChem:924108FK-070FK 070orb1738453SCHEMBL8657761JGCFJVFIRFTRKJ-YOLZMAEBSA-N(2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine hydrochloride(Z)-6-[(2S,4R)-4-[(4-Chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochlorideFR-121070
이름 더 보기
KDI-792 hydrochloride5-Hexenoic acid,6-[(2S,4R)-4-[[(4-chlorophenyl)sulfonyl]amino]-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-,hydrochloride (1:1), (5Z)-
(2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrolidine hydrochloride(2S,4R)-2-[(Z)-5-carboxy-l-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3pyridylmethyl)pyrrolidine hydrochloride5-Hexenoic acid, 6-((2S,4R)-4-(((4-chlorophenyl)sulfonyl)amino)-1-(3- pyridinylmethyl)-2-pyrrolidinyl)-, monohydrochloride, (5Z)-
데이터베이스 식별자
- CAS
130047-30-2- PubChem CID
- 6442424
물성
구조 계산 물성
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 704
관련 반응
4건
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