디히드로버지니아마이신S1
N-[(3S,6S,12R,15S,16R,19S,22S,24S)-3-benzyl-12-ethyl-24-hydroxy-4,16-dimethyl-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
기본 정보
- CAS
26549-61-1- 표준 SMILES
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O- InChIKey
QANUHXFBZRUCJM-OAZXMLKCSA-N- 분자식
- C43H51N7O10
- 평균 분자량
- 825.9 g/mol
이름 및 식별자
- 우선 이름
- N-[(3S,6S,12R,15S,16R,19S,22S,24S)-3-benzyl-12-ethyl-24-hydroxy-4,16-dimethyl-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
- IUPAC
- N-[(3S,6S,12R,15S,16R,19S,22S,24S)-3-benzyl-12-ethyl-24-hydroxy-4,16-dimethyl-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
- 현지명
- 디히드로버지니아마이신S1
- 영어명
- dihydrovirginiamycin S1
- 분자식
- C43H51N7O10
- 분자량
- 825.91
이름 및 동의어
디히드로버지니아마이신S1Dihydrostaphylomycin SDihydrostaphylomycin S1dihydrovirginiamycin S1Virginiamycin S1, 5-[(2S)-4-hydroxy-2-piperidinecarboxylic acid]- (9CI)N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo[L-Thr*-D-Abu-L-Pro-N-methyl-L-Phe-4β-hydroxy-L-Hpr-L-phenyl Gly-]N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo[L-Thr*-D-Abu-L-Pro-N-methyl-L-Phe-[(4S)-4-hydroxy-L-pipecoloyl]-L-phenyl Gly-]
데이터베이스 식별자
- CAS
26549-61-1- Nikkaji
- J247.829C
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 228 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,570
물리화학적 성질
- 끓는 점
- 1224.5 · 1224.5±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.52 · 3.52±0.35(Predicted)
관련 반응
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