기본 정보
- CAS
182073-77-4- 표준 SMILES
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C- InChIKey
ZYLBZJKJNAYAFU-AVGNSLFASA-N- 분자식
- C18H28F3N3O5
- 평균 분자량
- 423.4 g/mol
- 단동위원소 질량
- 423.19810549
개요
inhibits human leukocyte elastase; structure in first source
이름 및 식별자
- 우선 이름
- ZD-8321
- IUPAC
- methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
- 현지명
- N”-[N-METHOXYCARBONYL-L-VALYL]-N-[(S)-3,3,3-TRIFLUOR-1-ISOPROPYL-2-OXOPROPYL]-L-프롤리나미드
- 영어명
- N''-[N-METHOXYCARBONYL-L-VALYL]-N-[(S)-3,3,3-TRIFLUOR-1-ISOPROPYL-2-OXOPROPYL]-L-PROLINAMIDE
- 분자식
- C18H28F3N3O5
- 분자량
- 423.43
이름 및 동의어
182073-77-4ZD8321ZD-8321T7FIA2S66DN-(Methoxycarbonyl)-L-valyl-N-((1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-L-prolinamideZD 8321L-Prolinamide, N-(methoxycarbonyl)-L-valyl-N-((1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-RefChem:195881UNII-T7FIA2S66DCHEMBL79463methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate1-(2-methoxycarbonyl-3-methylbutyryl)-N-(2-methyl-1-(trifluoroacetyl)propyl)pyrrolidine-2-carboxamide
이름 더 보기
N”-[N-METHOXYCARBONYL-L-VALYL]-N-[(S)-3,3,3-TRIFLUOR-1-ISOPROPYL-2-OXOPROPYL]-L-프롤리나미드ZD-8321,ZD8321L-Prolinamide, N-(methoxycarbonyl)-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-
methyl ((S)-3-methyl-1-oxo-1-((S)-2-(((S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl)pyrrolidin-1-yl)butan-2-yl)carbamateN''-[N-METHOXYCARBONYL-L-VALYL]-N-[(S)-3,3,3-TRIFLUOR-1-ISOPROPYL-2-OXOPROPYL]-L-PROLINAMIDEorb1706444SCHEMBL5801511BDBM50061024HY-U00256AKOS040742842CS-7453
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- 끓는 점
- 573.9 · 573.9±50.0 °C(Predicted)
- 밀도
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 11.22 · 11.22±0.46(Predicted)
- 색상
- Light yellow to yellow
공급사
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관련 반응
5건
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