기본 정보
- CAS
84890-90-4- 표준 SMILES
CN[C@H](C(=O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O)C(C)C- InChIKey
ATQVBSVAXDRWFW-HBMCJLEFSA-N- 분자식
- C23H32N3O6P
- 평균 분자량
- 477.5 g/mol
- 단동위원소 질량
- 477.20287275
개요
from Actinomadura spiculosospora
이름 및 식별자
- 우선 이름
- Antibiotic K 4
- IUPAC
- [(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid
- 영어명
- [(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-but anoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acid
- 분자식
- C23H32N3O6P
- 분자량
- 477.49
이름 및 동의어
Antibiotic K 484890-90-4I5B1DTXSID90233941L-Phenylalaninamide, N-methyl-L-valyl-N-(2-(4-hydroxyphenyl)-1-phosphonoethyl)-, (R)-RefChem:113124DTXCID20156432[(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid[(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-butanoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acidI5-B1K-4SCHEMBL29865255
이름 더 보기
I5 B1Antibiotic I5B1L-Phenylalaninamide, N-methyl-L-valyl-N-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-Nα-(N-Acetyl-L-isoleucyl)-N-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-tyrosinamide[(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-but anoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acid
K 4Nalpha-[(1R)-2-(4-Hydroxyphenyl)-1-phosphonoethyl]-N-[(2S)-3-methyl-2-(methylamino)butanoyl]-L-phenylalaninamide
데이터베이스 식별자
- CAS
84890-90-4- PubChem CID
- 5487705
- DTXSID
DTXSID90233941
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 671
물리화학적 성질
- 밀도
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.56 · 2.56±0.10(Predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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