[2-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidin-1-yl)-2-oxo-1-(tetrahydro-pyran-4-ylmethyl)-ethyl]-carbamic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)NC(CC1CCOCC1)C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1- InChIKey
LVMDXBHMINIUKB-UHFFFAOYSA-N- 분자식
- C50H54N8O7
- 평균 분자량
- 879 g/mol
- 단동위원소 질량
- 878.41154609
이름 및 식별자
- 우선 이름
- [2-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidin-1-yl)-2-oxo-1-(tetrahydro-pyran-4-ylmethyl)-ethyl]-carbamic acid methyl ester
- IUPAC
- methyl N-[2-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-(oxan-4-yl)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
이름 및 동의어
SCHEMBL15404784LVMDXBHMINIUKB-UHFFFAOYSA-N[2-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidin-1-yl)-2-oxo-1-(tetrahydro-pyran-4-ylmethyl)-ethyl]-carbamic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 77335531
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 184 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,600
관련 반응
1건
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