기본 정보
- CAS
147334-90-5- 표준 SMILES
C=CC(C)(C)[C@H](NC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)CCCCCCCCCCCCC)C(=O)N[C@H](C(=O)N[C@@H](C=O)C(=O)O)[C@@H](C)O- InChIKey
HIRFPWCSYAMYPE-RYUAEMIRSA-N- 분자식
- C34H61N3O9
- 평균 분자량
- 655.9 g/mol
- 단동위원소 질량
- 655.44078053
개요
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid has been reported in Penicillium with data available.
이름 및 식별자
- 우선 이름
- (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
- IUPAC
- (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
- 현지명
- 스테바스텔린B3
- 영어명
- stevastelin B3
- 분자식
- C34H61N3O9
- 분자량
- 655.87
이름 및 동의어
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acidAntibiotic NK 374186B3NK 374186B3DTXSID50933096(S)-2-((2S,3R)-2-((S)-2-((2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyloctadecanamido)-3,3-dimethylpent-4-enamido)-3-hydroxybutanamido)-3-oxopropanoic acidL-Serine, N-((2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyl-1-oxooctadecyl)-L-valyl-L-threonyl-, (3-13)-lactone, 3-acetateL-Serine, N-(N-(N-(3,5-dihydroxy-2,4-dimethyl-1-oxooctadecyl)-L-valyl)-L-threonyl)-, lambda-lactone, 3-acetate, (2R-(2R*,3R*,4S*,5R*))-N-[(2S,3R)-1,3-Dihydroxy-2-{[(2S)-1-hydroxy-3,3-dimethyl-2-{[(2R,3R,4S,5R)-1,3,5-trihydroxy-2,4-dimethyloctadecylidene]amino}pent-4-en-1-ylidene]amino}butylidene]-3-oxo-L-alanineN-[1,3-Dihydroxy-2-({1-hydroxy-3,3-dimethyl-2-[(1,3,5-trihydroxy-2,4-dimethyloctadecylidene)amino]pent-4-en-1-ylidene}amino)butylidene]-3-oxoalanine스테바스텔린B3NK374186B3NK-374186B3
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 958
물리화학적 성질
- 끓는 점
- 873.5 · 873.5±65.0 °C(Predicted)
- 밀도
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.1 · 12.10±0.70(Predicted)
화학 및 산업
공급사2 곳
济南思考化学有限公司0531-0000 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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