Fmoc-MMAF-OMe
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기본 정보
- CAS
863971-38-4- 표준 SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C- InChIKey
MDJMZQUALDTONI-OVPIWJPHSA-N- 분자식
- C55H77N5O10
- 평균 분자량
- 968.2 g/mol
이름 및 식별자
- 우선 이름
- Fmoc-MMAF-OMe
- IUPAC
- methyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
- 영어명
- L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-, methyl ester
- 분자식
- C55H77N5O10
- 분자량
- 968.23
이름 및 동의어
863971-38-4Fmoc-MMAF-OMeL-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta-methoxy-alpha-methyl-2-pyrrolidinepropanoyl-, methyl estermethyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoateC55H77N5O10MFCD28385900orb1942384CS-M2934EX-A11849AKOS037650463CS-14846DA-48656
이름 더 보기
(S)-2-((2R,3R)-3 - ((S)-1 - ((5S,8S,11S,12R)-11 -L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-, methyl ester(2R,3R)methyl-2-(N-((2S,3R)-3-((9S)-9-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanamido)-3-methoxy-5,10-dimethyl-4-(methylamino)-8-oxoundecanoyl)pyrrolidin-2-yl)propionamido)-3-methoxy-2-methyl-3-phenylpropanoate
물성
구조 계산 물성보충 중
- XLogP
- 8.2
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,700
물리화학적 성질
- 끓는 점
- 1029.653 · 1029.653±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.152 · 1.152±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.761 · 13.761±0.46(predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
관련 반응
0건
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