글리신,N-(N-(N-(N-(N-(3-하이드록시-2-메틸-1-옥소헵틸)-N-메틸-L-류실)-L-알로이소류실)-L-세릴)-L-알로트레오닐)-,로-락톤
12-(Butan-2-yl)-19-butyl-5,8,11,14-tetrahydroxy-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13-tetraene-2,17-dione
기본 정보
- CAS
74504-50-0- 표준 SMILES
CCCCC1OC(=O)CNC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C1C- InChIKey
FGESHKULHDNOBC-AZIGLGSMSA-N- 분자식
- C30H53N5O9
- 평균 분자량
- 627.8 g/mol
- 단동위원소 질량
- 627.38432829
이름 및 식별자
- 우선 이름
- 12-(Butan-2-yl)-19-butyl-5,8,11,14-tetrahydroxy-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13-tetraene-2,17-dione
- IUPAC
- 12-butan-2-yl-19-butyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
- 현지명
- 글리신,N-(N-(N-(N-(N-(3-하이드록시-2-메틸-1-옥소헵틸)-N-메틸-L-류실)-L-알로이소류실)-L-세릴)-L-알로트레오닐)-,로-락톤
- 영어명
- Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoheptyl)-N-methyl-L-leu cyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone
- 분자식
- C30H53N5O9
- 분자량
- 627.775
이름 및 동의어
74504-50-0DTXSID0099601012-(Butan-2-yl)-19-butyl-5,8,11,14-tetrahydroxy-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13-tetraene-2,17-dioneRefChem:1057420DTXCID901423032Antibiotic SF 1902A2SF-1902A212-butan-2-yl-19-butyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexoneGlycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoheptyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactoneSCHEMBL29885898글리신,N-(N-(N-(N-(N-(3-하이드록시-2-메틸-1-옥소헵틸)-N-메틸-L-류실)-L-알로이소류실)-L-세릴)-L-알로트레오닐)-,로-락톤Antibiotic SF-1902A2
이름 더 보기
Cyclo[Gly-3-hydroxy*-2-methyl-1-oxoheptyl-N-methyl-L-Leu-L-aIle-L-Ser-L-aThr-]Glycine, N-(3-hydroxy-2-methyl-1-oxoheptyl)-N-methyl-L-leucyl-L-alloisoleucyl-L-seryl-L-allothreonyl-, (5→1)-lactone (9CI)
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 982.9 · 982.9±65.0 °C(Predicted)
- 밀도
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.79 · 12.79±0.70(Predicted)
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