2-[2-[2-(1-tert-Butoxycarbonyl-3-methylbutylcarbamoyl)-6-methyl-phenyldisulfanyl]-3-methylbenzoylamino]-4-methyl-pentanoic acid tert-butyl ester
기본 정보
- 표준 SMILES
Cc1cccc(C(=O)NC(CC(C)C)C(=O)OC(C)(C)C)c1SSc1c(C)cccc1C(=O)NC(CC(C)C)C(=O)OC(C)(C)C- InChIKey
KYAHMNORZZGAPF-UHFFFAOYSA-N- 분자식
- C36H52N2O6S2
- 평균 분자량
- 672.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[2-[2-(1-tert-Butoxycarbonyl-3-methylbutylcarbamoyl)-6-methyl-phenyldisulfanyl]-3-methylbenzoylamino]-4-methyl-pentanoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-methyl-2-[[3-methyl-2-[[2-methyl-6-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]pentanoate
이름 및 동의어
KYAHMNORZZGAPF-UHFFFAOYSA-N2-[2-[2-(1-tert-Butoxycarbonyl-3-methylbutylcarbamoyl)-6-methyl--phenyldisulfanyl]-3-methylbenzoylamino]-4-methyl-pentanoic acid tert-butyl ester2-[2-[2-(1-tert-Butoxycarbonyl-3-methylbutylcarbamoyl)-6-methyl-phenyldisulfanyl]-3-methylbenzoylamino]-4-methyl-pentanoic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 76414044
물성
구조 계산 물성
- XLogP
- 8.6
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 941
관련 반응
2건
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