기본 정보
- CAS
79438-64-5- 표준 SMILES
C[C@H](NC(=O)[C@H](N)C(O)C(=O)O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C)N[C@@H]1CCCN(O)C1=O)C(=O)[C@@H](N)CCCCNC(=O)C1CCN=C2C(NC(=O)CCC(N)=O)Cc3cc(O)c(O)cc3N21)[C@@H](C)O- InChIKey
DKRKCXQSIKKJRX-ANCZQRAUSA-N- 분자식
- C42H62N12O16
- 평균 분자량
- 991 g/mol
- 단동위원소 질량
- 990.44067394
개요
Pseudobactin A has been reported in Pseudomonas with data available.
이름 및 식별자
- 우선 이름
- Pseudobactin A
- IUPAC
- (3R)-3-amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-amino-6-[[5-[(4-amino-4-oxobutanoyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]-[(2S)-2-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]propanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid
- 현지명
- 슈도박틴A
- 영어명
- pseudobactin A
- 분자식
- C42H62N12O16
- 분자량
- 991.01248
이름 및 동의어
Pseudobactin A79438-64-5(3R)-3-amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-amino-6-[[5-[(4-amino-4-oxobutanoyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]-[(2S)-2-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]propanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxobutanoic acidL-Alaninamide, N6-((5-((4-amino-1,4-dioxobutyl)amino)-2,3,5,6-tetrahydro-8,9-dihydroxy-1H-pyrimido(1,2-a)quinolin-1-yl)carbonyl)-L-lysyl-threo-3-hydroxy-D-alpha-aspartyl-L-alanyl-D-allothreonyl-N-(1-hydroxy-2-oxo-3-piperidinyl)-(3R)-3-amino-4-(((2S)-1-(((2R,3R)-1-(((2S)-2-amino-6-((5-((4-amino-4-oxobutanoyl)amino)-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido(1,2-a)quinoline-1-carbonyl)amino)hexanoyl)-((2S)-2-(((3R)-1-hydroxy-2-oxopiperidin-3-yl)amino)propanoyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxopropan-2-yl)amino)-2-hydroxy-4-oxobutanoic acidRefChem:176902슈도박틴A
데이터베이스 식별자
- CAS
79438-64-5- PubChem CID
- 196131
물성
구조 계산 물성
- XLogP
- -8.3
- 극성 표면적
- 452 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 2,010
화학 및 산업
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上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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