Cyclopenta[c]pyrrole-1-carboxylic acid, 2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-
기본 정보
- CAS
926276-17-7- 표준 SMILES
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(C)(C)C- InChIKey
GBXJVTOEGWHCOK-OBBCHVIHSA-N- 분자식
- C34H51N3O6
- 평균 분자량
- 597.8 g/mol
- 단동위원소 질량
- 597.37778636
이름 및 식별자
- 우선 이름
- Cyclopenta[c]pyrrole-1-carboxylic acid, 2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-
- IUPAC
- tert-butyl (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
이름 및 동의어
926276-17-7Cyclopenta[c]pyrrole-1-carboxylic acid, 2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-SCHEMBL2326116DTXSID5010989501,1-Dimethylethyl (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydrocyclopenta[c]pyrrole-1-carboxylate
데이터베이스 식별자
- CAS
926276-17-7- PubChem CID
- 67364758
- DTXSID
DTXSID501098950- EC Number
- 618-867-4
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 989
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