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기본 정보
- CAS
1272656-46-8- 표준 SMILES
COC(=O)N[C@H](C(=O)N1CC2(CNC2)CC1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C- InChIKey
HYCFQLFXXDLCPF-GONGHQDWSA-N- 분자식
- C42H53N9O6
- 평균 분자량
- 779.9 g/mol
- 단동위원소 질량
- 779.41188044
이름 및 식별자
- 우선 이름
- methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[7-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-2,7-diazaspiro[3.4]octan-6-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
- IUPAC
- methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[6-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,6-diazaspiro[3.4]octan-7-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
methyl [(1S)-2-methyl-1-({(2S)-2-[4-(4'-{2-[6-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-2,6-diazaspiro[3.4]oct-7-yl]-1H-imidazol-4-yl]-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamatemethyl [(1S)-2-methyl-1-({(2S)-2-[4-(4'-{2-[6-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-2,6-diazaspiro[3.4]oct-7-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}carbonyl)propyl]carbamateCHEMBL3122029SCHEMBL12559879HYCFQLFXXDLCPF-GONGHQDWSA-NDTXSID6010981031272656-46-8methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[7-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-2,7-diazaspiro[3.4]octan-6-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamateMethyl N-[(1S)-1-[[(2S)-2-[5-[4a(2)-[2-[6-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2,6-diazaspiro[3.4]oct-7-yl]-1H-imidazol-5-yl][1,1a(2)-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamate
데이터베이스 식별자
- CAS
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 187 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,410
관련 반응
10건
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