methyl N-[(1S)-1-[[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-5-[4-(2-pyridyl)phenyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
기본 정보
- 표준 SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C- InChIKey
OJQCWIJULNAPLC-VYIXFUBHSA-N- 분자식
- C39H53N5O7
- 평균 분자량
- 703.9 g/mol
이름 및 식별자
- 우선 이름
- methyl N-[(1S)-1-[[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-5-[4-(2-pyridyl)phenyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
- IUPAC
- methyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
CHEMBL1835484OJQCWIJULNAPLC-VYIXFUBHSA-Nmethyl (1S,4S,5S,7S,10S)-7-benzyl-1,10-ditert-butyl-5-hydroxy-2,9,12-trioxo-4-[4-(2-pyridinyl)benzyl]-13-oxa-3,8,11-triazatetradec-1-ylcarbamatemethyl N-[(1S)-1-[[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-5-[4-(2-pyridyl)phenyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamatemethyl(1s,4s,5s,7s,10s)-7-benzyl-1,10-ditert-butyl-5-hydroxy-2,9,12-trioxo-4-[4-(2-pyridinyl)benzyl]-13-oxa-3,8,11-triazatetradec-1-ylcarbamate
데이터베이스 식별자
- PubChem CID
- 56594083
- ChEMBL
CHEMBL1835484
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
2건
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