4-[N-메틸-4-(메틸아미노)-L-페닐알라닌]버지니아마이신S1
Efepristin
기본 정보
- CAS
57206-54-9- 표준 SMILES
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(NC)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O- InChIKey
PCOXSOQWQVRJCH-RIECGXCRSA-N- 분자식
- C44H52N8O10
- 평균 분자량
- 852.9 g/mol
이름 및 식별자
- 우선 이름
- Efepristin
- IUPAC
- N-[(3S,6S,12R,15S,16R,19S,22S)-12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
- 현지명
- 4-[N-메틸-4-(메틸아미노)-L-페닐알라닌]버지니아마이신S1
- 영어명
- 4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1
- 분자식
- C44H52N8O10
- 분자량
- 852.93
이름 및 동의어
EfepristinOstreogrycin b2Efepristin [INN]57206-54-9Vernamycin b.beta.efepristinaefepristineUNII-69RU1K50ZP69RU1K50ZPVERNAMYCIN BBETAVERNAMYCIN B.BETA. [MI]VIRGINIAMYCIN S1, 4-(N-METHYL-4-(METHYLAMINO)-L-PHENYLALANINE)-
이름 더 보기
4-[N-메틸-4-(메틸아미노)-L-페닐알라닌]버지니아마이신S1E-129Z2RP-13919Vernamycin B&bPristinamycin ⅠB4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1Virginiamycin S1, 4-[N-methyl-4-(methylamino)-L-phenylalanine]-3-Hydroxypicolinoyl-cyclo[L-Thr*-D-Abu-L-Pro-4-methylamino-N-methyl-L-Phe-4-oxo-L-Hpr-L-phenyl Gly-]
N-((3-HYDROXY-2-PYRIDINYL)CARBONYL)-L-THREONYL-D-.ALPHA.-AMINOBUTYRYL-L-PROLYL-N-METHYL-4-(METHYLAMINO)-L-PHENYLALANYL-4-OXO-L-PIPECOLOYL-L-2-PHENYLGLYCINE .RHO.-LACTONEefepristinumRefChem:136327N-((3-HYDROXY-2-PYRIDINYL)CARBONYL)-L-THREONYL-D-ALPHA-AMINOBUTYRYL-L-PROLYL-N-METHYL-4-(METHYLAMINO)-L-PHENYLALANYL-4-OXO-L-PIPECOLOYL-L-2-PHENYLGLYCINE RHO-LACTONEPristinamycin IBN-[(3S,6S,12R,15S,16R,19S,22S)-12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamideorb3024797SCHEMBL1229116
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 끓는 점
- 1213.6 · 1213.6±65.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.52 · 3.52±0.35(Predicted)
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