기본 정보
- CAS
127363-91-1- 표준 SMILES
COC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C- InChIKey
RSDDIXBRSNNUJI-WPMUBMLPSA-N- 분자식
- C42H76N8O11
- 평균 분자량
- 869.1 g/mol
- 단동위원소 질량
- 868.56335527
이름 및 식별자
- 우선 이름
- t-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester
- IUPAC
- methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate
- 현지명
- t-부틸옥시카르보닐-발릴-알라닐-류실-2-아미노이소부티릴-발릴-알라닐-류실-2-아미노이소부티릴메틸에스테르
- 영어명
- t-butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester
- 분자식
- C42H76N8O11
- 분자량
- 869.09984
이름 및 동의어
Valu-8127363-91-1Boc-val-ala-leu-aib-val-ala-leu-aib-omet-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl esterDTXSID20155501RefChem:187063DTXCID4077992methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoateAlanine, N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methylalanyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methyl-, methyl esterMethyl N-(tert-butoxycarbonyl)-L-valyl-L-alanyl-L-leucyl-2-methylalanyl-L-valyl-L-alanyl-L-leucyl-2-methylalaninatet-부틸옥시카르보닐-발릴-알라닐-류실-2-아미노이소부티릴-발릴-알라닐-류실-2-아미노이소부티릴메틸에스테르
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 268 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,570
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