기본 정보
- CAS
26034-16-2- 표준 SMILES
CCC(C)[C@@H]1NC(=O)[C@H]2C[C@@H](C)CN2C(=O)[C@H](C(C)CC)NC(=O)[C@@H](N(C)C(=O)C2C[C@@H](C)CN2C(=O)[C@H](C(C)C)N(C)C(C)=O)[C@@H](C)OC(=O)CNC(=O)[C@@H](C(C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C1=O- InChIKey
BVCBJSHZCAWDPE-RENOUVQNSA-N- 분자식
- C57H96N10O12
- 평균 분자량
- 1,113.4 g/mol
- 단동위원소 질량
- 1,112.72091854
이름 및 식별자
- 우선 이름
- Grisellimycin
- IUPAC
- (4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methylbutanoyl]-N,4-dimethyl-N-[(3R,6S,9R,11R,15S,18S,19R,25R,28S)-6,15,25-tri(butan-2-yl)-4,11,19,26-tetramethyl-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
- 현지명
- N-(N-메틸-N-아세틸-L-Val-4β-메틸-L-Pro-)N-메틸시클로[L-Thr*-L-Leu-4β-메틸-L-Pro-L-Leu-N-메틸-L-Val-L-Pro-N-메틸-D-Leu-Gly-]
- 영어명
- N-(N-Methyl-N-acetyl-L-Val-4β-methyl-L-Pro-)N-methylcyclo[L-Thr*-L-Leu-4β-methyl-L-Pro-L-Leu-N-methyl-L-Val-L-Pro-N-methyl-D-Leu-Gly-]
- 분자식
- C57H96N10O12
- 분자량
- 1113.45
이름 및 동의어
GrisellimycinGrizelimycinGrisellimycin BNSC 246122RP-11072-BN-(N-메틸-N-아세틸-L-Val-4β-메틸-L-Pro-)N-메틸시클로[L-Thr*-L-Leu-4β-메틸-L-Pro-L-Leu-N-메틸-L-Val-L-Pro-N-메틸-D-Leu-Gly-]GriselimycinRP11072-BRP 11072-BN-Methyl-N-[N-methyl-N-Ac-L-Val-4β-methyl-L-Pro-]cyclo[L-Thr*-L-Leu-4β-methyl-L-Pro-L-Leu-N-methyl-L-Val-L-Pro-N-methyl-D-Leu-Gly-]N-(N-Methyl-N-acetyl-L-Val-4β-methyl-L-Pro-)N-methylcyclo[L-Thr*-L-Leu-4β-methyl-L-Pro-L-Leu-N-methyl-L-Val-L-Pro-N-methyl-D-Leu-Gly-N-(N-Methyl-N-acetyl-L-Val-4β-methyl-L-Pro-)N-methylcyclo[L-Thr*-L-Leu-4β-methyl-L-Pro-L-Leu-N-methyl-L-Val-L-Pro-N-methyl-D-Leu-Gly-]
이름 더 보기
Glycine, N-acetyl-N-methyl-L-valyl-(4R)-4-methyl-L-prolyl-N-methyl-L-threonyl-L-leucyl-(4R)-4-methyl-L-prolyl-L-leucyl-N-methyl-L-valyl-L-prolyl-N-methyl-D-leucyl-, (10→3)-lactone
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 256 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 79
- 형식 전하
- 0
- 복잡도
- 2,260
물리화학적 성질
- 녹는점
- 266 · 266-268 °C
- 끓는 점
- 1245.5 · 1245.5±65.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.99 · 12.99±0.70(Predicted)
화학 및 산업
공급사4 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
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