기본 정보
- CAS
138865-77-7- 표준 SMILES
CC(C)COC(=O)N[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(OC(=O)OCc2ccc(Br)cc2)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C- InChIKey
NOSLNGMGLUZOKG-CNKJTFKXSA-N- 분자식
- C51H65BrN8O15
- 평균 분자량
- 1,110 g/mol
- 단동위원소 질량
- 1,108.37528
개요
amino acid sequence given in first source
이름 및 식별자
- 우선 이름
- tert-butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(BrZ)tyrosyl-proline
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acid
- 현지명
- tert-부틸옥시카르보닐-발릴-(벤질)세릴-글루타미닐-아스파라기닐-(BrZ)티로실-프롤린
- 영어명
- tert-butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(BrZ)tyrosyl-proline
- 분자식
- C51H65BrN8O15
- 분자량
- 1110.0104
이름 및 동의어
Boc-bgat-prooh138865-77-7tert-Butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(brz)tyrosyl-prolineBoc-val-ser(bzl)-gln-asn-tyr(brz)-pro-OHBoc-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosyl-prolineRefChem:188274(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]pyrrolidine-2-carboxylic acidL-Proline, 1-(O-(((4-bromophenyl)methoxy)carbonyl)-N-(N2-(N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-O-(phenylmethyl)-L-seryl)-L-glutaminyl)-L-asparaginyl)-L-tyrosyl)-tert-부틸옥시카르보닐-발릴-(벤질)세릴-글루타미닐-아스파라기닐-(BrZ)티로실-프롤린
데이터베이스 식별자
- CAS
138865-77-7- PubChem CID
- 160033
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 343 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 1,940
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