tert-butyl 3-[N-((1R)-2-{4-[2-({2-[(tert-butoxy) carbonylamino]ethyl}amino)phenyl]piperazinyl}-1-[(4-chlorophenyl)methyl]-2-oxoethyl)carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)NCCNc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1- InChIKey
GVDMIKZYVYQLFT-OQBISYOISA-N- 분자식
- C41H53ClN6O6
- 평균 분자량
- 761.3 g/mol
- 단동위원소 질량
- 760.3715111
이름 및 식별자
- 우선 이름
- tert-butyl 3-[N-((1R)-2-{4-[2-({2-[(tert-butoxy) carbonylamino]ethyl}amino)phenyl]piperazinyl}-1-[(4-chlorophenyl)methyl]-2-oxoethyl)carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- IUPAC
- tert-butyl (3S)-3-[[(2R)-3-(4-chlorophenyl)-1-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
이름 및 동의어
SCHEMBL4511489GVDMIKZYVYQLFT-OQBISYOISA-Ntert-butyl 3-[N-((1R)-2-{4-[2-({2-[(tert-butoxy) carbonylamino]ethyl}amino)phenyl]piperazinyl}-1-[(4-chlorophenyl)methyl]-2-oxoethyl)carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylatetert-butyl 3-[n-((1r)-2-{4-[2-({2-[(tert-butoxy)carbonylamino]-ethyl}amino)phenyl]-piperazinyl}-1-[(4-chlorophenyl)-methyl]-2-oxoethyl)-carbamoyl](3s)-1,2,3,4-tetrahydro-isoquinoline-2-carboxylatetert-butyl 3-[n-((1r)-2-{4-[2-({2-[(tert-butoxy)carbonylamino]ethyl}amino)phenyl]-piperazinyl}-1-[(4-chlorophenyl)methyl]-2-oxoethyl)-carbamoyl](3s)-1,2,3,4-tetrahydroisoquinoline-2-carboxylatetert-butyl 3-[N-((1R)-2-{4-[2-({2-[(tert-butoxy)carbonylamino]ethyl}amino)phenyl]piperazinyl}-1-[(4-chlorophenyl)methyl]-2-oxoethyl)carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 69073578
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,260
관련 반응
6건
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