기본 정보
- 표준 SMILES
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
VQNFWUHHBYKTRT-CPCREDONSA-N- 분자식
- C34H36N2O5
- 평균 분자량
- 552.7 g/mol
이름 및 식별자
- 우선 이름
- dibenzyl ((2S,3S,5S)-3-hydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate
- IUPAC
- benzyl N-[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
이름 및 동의어
CHEMBL314753dibenzyl ((2S,3S,5S)-3-hydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate144141-68-4SCHEMBL4950328Hydroxybutylenedicarbamate deriv.VQNFWUHHBYKTRT-CPCREDONSA-Nbenzyl N-[(2S,3S,5S)-5-{[(benzyloxy)carbonyl]amino}-3-hydroxy-1,6-diphenylhexan-2-yl]carbamateBDBM502858921,4-Dibenzyl-2-hydroxy-butylenedicarbamate dibenzyl ester(2S,3S,5S)-2,5-Bis-(N(((benzyl)oxy)carbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2,5-Bis-(N-(((benzyl)oxy)carbonyl)amino )-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2,5-Bis-(N-(((benzyl)oxy)carbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
이름 더 보기
(2S,3S,5S)-2,5-bis-(N-(((benzyl)oxy)carbonyl)amino)-1.6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2,5-Bis-(N-(((benzyl)oxy)carbonyl)amino)1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2.5-Bis-(N-(((benzyl)oxy)carbonyl)amino)-1,6-diphenyl-3-hydroxyhexane((1S,3S,4S)-1-Benzyl-4-benzyloxycarbonylamino-3-hydroxy-5-phenyl-pentyl)-carbamic acid benzyl esterbenzyl N-[(1S,2S,4S)-1-benzyl-4-(benzyloxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
데이터베이스 식별자
- PubChem CID
- 460972
- ChEMBL
CHEMBL314753
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 96.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 739
관련 반응
19건
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