기본 정보
- CAS
137015-76-0- 표준 SMILES
CC(C)CCNC(=O)[C@H](CC(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(C(=O)[C@H](Cc1ccccc1)NC(=O)C1(N)CCCCC1)C(C)C.Cl- InChIKey
FYJBAYZGTRPPRI-OTBKOAHWSA-N- 분자식
- C41H62ClN5O7
- 평균 분자량
- 772.4 g/mol
- 단동위원소 질량
- 771.433777
개요
structure given in first source
이름 및 식별자
- 우선 이름
- UK 88947
- IUPAC
- (3S)-3-amino-4-[[(2S,5R,8S)-8-[(1-aminocyclohexanecarbonyl)amino]-3-hydroxy-5-(3-methylbutylcarbamoyl)-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid;hydrochloride
- 영어명
- UK 88947
- 분자식
- C41H63ClN6O6
- 분자량
- 771.44
이름 및 동의어
UK 88947UK-88,947L-Aspartamide, N-((1-aminocyclohexyl)carbonyl)-L-phenylalanyl-N1-(2-hydroxy-6-methyl-4-(((2-methylpropyl)amino)carbonyl)-1-(phenylmethyl)heptyl)-, monohydrochloride, (1S-(1R*,2R*,4S*))-N-Isopentyl 5-(1-aminocyclohexylcarbonyl-phe-asn-amino)-4-hydroxy-2-isobutyl-6-phenylhexanamideRefChem:192965137015-76-0UK-88947 HCl(3S)-3-amino-4-[[(2S,5R,8S)-8-[(1-aminocyclohexanecarbonyl)amino]-3-hydroxy-5-(3-methylbutylcarbamoyl)-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid;hydrochlorideN-Isopentyl-5-(1-aminocyclohexylcarbonyl-phenylalanyl-asparaginylamino)-4-hydroxy-2-isobutyl-6-phenylhexanamideDTXSID60929662(3S)-3-Amino-4-{[(2S,5R,8S)-8-{[(1-aminocyclohexyl)(hydroxy)methylidene]amino}-3-hydroxy-5-{hydroxy[(3-methylbutyl)imino]methyl}-7-oxo-1,9-diphenyl-6-(propan-2-yl)nonan-2-yl]imino}-4-hydroxybutanoic acid--hydrogen chloride (1/1)3-Amino-4-{[8-{[(1-aminocyclohexyl)(hydroxy)methylidene]amino}-3-hydroxy-5-{hydroxy[(3-methylbutyl)imino]methyl}-7-oxo-1,9-diphenyl-6-(propan-2-yl)nonan-2-yl]imino}-4-hydroxybutanoic acid--hydrogen chloride (1/1)
물성
구조 계산 물성
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,180
화학 및 산업
공급사2 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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