기본 정보
- CAS
129467-49-8- 표준 SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
TZRRVSCDIPHXHN-UNHORJANSA-N- 분자식
- C44H54N4O8
- 평균 분자량
- 766.9 g/mol
- 단동위원소 질량
- 766.39416469
이름 및 식별자
- 우선 이름
- Bis((Cbz-Val-Phe-psi(CHOH))
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
Bis((Cbz-Val-Phe-psi(CHOH))(Cbz-Val-Phe-psi(CHOH))2BIS-((Cbz-Val-Phe-psi(CHOH))BzOCValPhe(diCHOH(SS))PheValBzOC129467-49-8CHEMBL3009682,5-Diamino-N,N'-bis(N-benzyloxycarbonylvalyl)-1,6-diphenyl-3(S),4(S)-hexanediolBzOCValPhe[diCHOH(SS)]PheValBzOCL-Mannitol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-1,6-diphenyl-, (2(S),5(S))-L-Mannitol, 1,2,5,6-tetradeoxy-2,5-bis[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,6-diphenyl-, [2(S),5(S)]-SCHEMBL6445103DTXSID20156174
이름 더 보기
TZRRVSCDIPHXHN-UNHORJANSA-N[Cbz-Val-Phe-.psi.(CHOH)]2BDBM50000753BIS-([Cbz-Val-Phe-.psi.(CHOH)](2S,3S,4S,5S)-2,5-Di-(N-(Cbz-valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexanebenzyl N-[(1S)-1-[[(1S,2S,3S,4S)-1-benzyl-4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamateDibenzyl ([(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis{azanediyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
2건
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