Tasiamide F
기본 정보
- 표준 SMILES
CC[C@H](C)[C@H](N=C(O)[C@H](C)O)C(=O)N(C)[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=N[C@H](C(O)=NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC- InChIKey
CJLWKFUIIJXJBZ-PMQPHXACSA-N- 분자식
- C50H74N8O12
- 평균 분자량
- 979.2 g/mol
- 단동위원소 질량
- 978.54261981
개요
Tasiamide F is a peptide.
이름 및 식별자
- 우선 이름
- Tasiamide F
- IUPAC
- methyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
이름 및 동의어
Tasiamide Fmethyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate(2S)-2-((2S,3S)-2-(((2S)-1,2-dihydroxypropylidene)amino)-N,3-dimethylpentanamido)-N-((2S,3S)-3-hydroxy-4-(((1S,2S)-1-(((((2R)-1-((2S)-2-(methoxycarbonyl)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)(methyl)carbamoyl)methyl)-C-hydroxycarbonimidoyl)-2-methylbutyl)-C-hydroxycarbonimidoyl)-1-phenylbutan-2-yl)pentanediimidate(2S)-2-[(2S,3S)-2-{[(2S)-1,2-dihydroxypropylidene]amino}-N,3-dimethylpentanamido]-N-[(2S,3S)-3-hydroxy-4-{[(1S,2S)-1-[({[(2R)-1-[(2S)-2-(methoxycarbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl](methyl)carbamoyl}methyl)-C-hydroxycarbonimidoyl]-2-methylbutyl]-C-hydroxycarbonimidoyl}-1-phenylbutan-2-yl]pentanediimidatemethyl (2S)-1-((2R)-2-((2-(((2S,3S)-2-(((3S,4S)-4-(((2S)-5-amino-2-(((2S,3S)-2-(((2S)-2-hydroxypropanoyl)amino)-3-methylpentanoyl)-methylamino)-5-oxopentanoyl)amino)-3-hydroxy-5-phenylpentanoyl)amino)-3-methylpentanoyl)amino)acetyl)-methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxylate
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 287 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,770
관련 반응
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