기본 정보
- CAS
134458-79-0- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC1CCCCC1)C(=O)NCc1ccccn1- InChIKey
DVFOMRWKCHJPKR-JTBAOHSFSA-N- 분자식
- C35H58N4O5
- 평균 분자량
- 614.9 g/mol
- 단동위원소 질량
- 614.44072096
이름 및 식별자
- 우선 이름
- L-Idonamide, 6-cyclohexyl-5-((cyclohexylacetyl)amino)-2,5,6-trideoxy-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-
- IUPAC
- (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
이름 및 동의어
134458-79-0Cha-Cha-psi(CH(OH)CH(OH))-Val-Ile-AmpL-Idonamide, 6-cyclohexyl-5-((cyclohexylacetyl)amino)-2,5,6-trideoxy-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-CHEMBL3085447L-Idonamide, 6-cyclohexyl-5-[(cyclohexylacetyl)amino]-2,5,6-trideoxy-2-(1-methylethyl)-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]-, [S-(R*,R*)]-DTXSID90158721BDBM50453058Cha-Cha-.psi.[CH(OH)CH(OH)]-Val-Ile-Amp(2R,3R,4R,5S)-6-Cyclohexyl-5-(2-cyclohexylacetamido)-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(propan-2-yl)hexanamide(2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
데이터베이스 식별자
- CAS
134458-79-0- PubChem CID
- 5479260
- DTXSID
DTXSID90158721- ChEMBL
CHEMBL3085447
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 873
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