기본 정보
- CAS
1212136-72-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)Cc1ccccc1- InChIKey
FLJWXJFCRUMLMM-PMACEKPBSA-N- 분자식
- C23H27N3O3
- 평균 분자량
- 393.5 g/mol
- 단동위원소 질량
- 393.20524173
이름 및 식별자
- 우선 이름
- tert-Butyl (s)-1-((s)-1-cyano-2-phenylethylamino)-1-oxo-3-phenylpropan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
- 영어명
- Tert-Butyl (S)-1-((S)-1-Cyano-2-Phenylethylamino)-1-Oxo-3-Phenylpropan-2-Ylcarbamate
- 분자식
- C23H27N3O3
- 분자량
- 393.48
이름 및 동의어
1212136-72-51820579-42-7tert-Butyl (s)-1-((s)-1-cyano-2-phenylethylamino)-1-oxo-3-phenylpropan-2-ylcarbamatetert-Butyl (S)-1-((S)-1-cyano-2-phenylethylamino)- 1-oxo-3-phenylpropan-2-ylcarbamateMFCD09910411TERT-BUTYL (S)-1-((S)-1-CYANO-2-PHENYLETHYLAMINO)- 1-OXO-3-PHENYLPROPAN-2-YLCARBAMATEtert-Butyl ((S)-1-(((S)-1-cyano-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamatetert-butyl N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamatetert-Butyl((S)-1-(((S)-1-cyano-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamateAR3083AKOS027334961AS-45521
이름 더 보기
Carbamic acid, N-[(1R)-2-[[(1R)-1-cyano-2-phenylethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester, rel-
CS-0171850F306426tert-butyl N-[(1S)-1-benzyl-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-2-oxo-ethyl]carbamateCarbamic acid, N-[(1S)-2-[[(1S)-1-cyano-2-phenylethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 91.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 끓는 점
- 646.6 · 646.6±55.0 °C(Predicted)
- 밀도
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.23 · 11.23±0.46(Predicted)
화학 및 산업
공급사1 곳
凯试（上海）科技有限公司021-50135380 · [email protected]
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