기본 정보
- CAS
130982-44-4- 표준 SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@@]1(C(N)=O)CCCN1C(CCCN=C(N)N)B1O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@]2(C)O1- InChIKey
DBZJJKRAENLJIA-XOQVERFLSA-N- 분자식
- C34H53BN6O6
- 평균 분자량
- 652.6 g/mol
- 단동위원소 질량
- 652.41196382
이름 및 식별자
- 우선 이름
- t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16
- IUPAC
- tert-butyl N-[(2R)-1-[(2R)-2-carbamoyl-1-[4-(diaminomethylideneamino)-1-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]pyrrolidin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
- 영어명
- L-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-(( aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2 -benzodioxaborol-2-yl)butyl)-, (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalp ha))-
- 분자식
- C34H53BN6O6
- 분자량
- 652.63222
이름 및 동의어
Boc-phe-pro-boroarg-OH130982-44-4t-Butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16RefChem:187061DTXSID40926992(3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-N-((1,1-Dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2-benzodioxaborol-2-yl)butyl)-L-prolinamidetert-butyl N-[(2R)-1-[(2R)-2-carbamoyl-1-[4-(diaminomethylideneamino)-1-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]pyrrolidin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate(2S)-2-[(2R)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-phenylpropanoyl]-1-{4-(carbamimidoylamino)-1-[(3aS,4R,6R,7aR)-3a,5,5-trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}pyrrolidine-2-carboximidic acid2-(2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-phenylpropanoyl)-1-[4-carbamimidamido-1-(3a,5,5-trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl)butyl]pyrrolidine-2-carboximidic acidL-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2-benzodioxaborol-2-yl)butyl)-, (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-
물성
구조 계산 물성
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,220
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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