기본 정보
- CAS
69639-47-0- 표준 SMILES
C=C(C(=O)N(C)[C@@](C=O)(CC(C)C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@H](C)CC)[C@H](C)O)[C@H](O)CCCCCCCC- InChIKey
BINCSGXJKYDHCL-GUOYJVKZSA-N- 분자식
- C34H61N5O9
- 평균 분자량
- 683.9 g/mol
- 단동위원소 질량
- 683.44692854
이름 및 식별자
- 우선 이름
- Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoundecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone
- IUPAC
- (3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
- 현지명
- 사이클로[Gly-3-히드록시*-2-메틸-1-옥소운데실-N-메틸-L-Leu-L-aIle-L-Ser-L-aThr-]
- 영어명
- Cyclo[Gly-3-hydroxy*-2-methyl-1-oxoundecyl-N-methyl-L-Leu-L-aIle-L-Ser-L-aThr-]
- 분자식
- C34H61N5O9
- 분자량
- 683.88
이름 및 동의어
Antibiotic SF 1902A5SF-1902A5Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoundecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactoneDTXSID7021990069639-47-0RefChem:346531DTXCID80142391SCHEMBL29884919L-Alloisoleucyl-L-seryl-N-{(3R)-3-formyl-3-[(3R)-3-hydroxy-N-methyl-2-methylideneundecanamido]-5-methyl-2-oxohexyl}-L-allothreoninamide사이클로[Gly-3-히드록시*-2-메틸-1-옥소운데실-N-메틸-L-Leu-L-aIle-L-Ser-L-aThr-]Antibiotic SF-1902A5Cyclo[Gly-3-hydroxy*-2-methyl-1-oxoundecyl-N-methyl-L-Leu-L-aIle-L-Ser-L-aThr-]
이름 더 보기
Cyclo[L-alloisoleucyl-L-seryl-L-allothreonylglycyl-(2R,3R)-3-hydroxy-2-methylundecanoyl-N-methyl-L-leucyl](3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 228 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 녹는점
- 100 · 100-102 °C
- 끓는 점
- 994 · 994.0±65.0 °C(Predicted)
- 밀도
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.79 · 12.79±0.70(Predicted)
관련 반응
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