기본 정보
- CAS
126103-94-4- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1- InChIKey
RLQUQIUJPBZNMI-NFWZRYHXSA-N- 분자식
- C33H56N4O4
- 평균 분자량
- 572.8 g/mol
- 단동위원소 질량
- 572.43015628
이름 및 식별자
- 우선 이름
- (2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
- IUPAC
- (2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
이름 및 동의어
(2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamideU-81749ETBA-CVA-Ile-AmpTba-Cha-.psi.[CH(OH)CH2]-Val-Ile-Amp(2S,4S,5S)-6-Cyclohexyl-5-(3,3-dimethyl-butanoylamino)-4-hydroxy-2-isopropylhexanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]butyl}-amide(2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamideCyclohexanehexamide, .delta.-[(3,3-dimethyl-1-oxobutyl)amino]-.gamma.-hydroxy-.alpha.-(1-methylethyl)-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]
데이터베이스 식별자
- CAS
126103-94-4- PubChem CID
- 451652
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 806
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