N2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl) carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamide
기본 정보
- 표준 SMILES
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1- InChIKey
HYPWWNMSWMOBQD-ZWKOTPCHSA-N- 분자식
- C25H31ClN4O6S2
- 평균 분자량
- 583.1 g/mol
이름 및 식별자
- 우선 이름
- N2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl) carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamide
- IUPAC
- tert-butyl N-[(2R)-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
SCHEMBL77420HYPWWNMSWMOBQD-ZWKOTPCHSA-NN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl) carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamideN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methioninamideN2-(tert-butoxycarbonyl)-N1-{4-[(5S)-5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-D-methionineamide
데이터베이스 식별자
- PubChem CID
- 58777723
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 852
관련 반응
6건
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