(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid

HCID 59404337

기본 정보

표준 SMILES
CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C
InChIKey
BPYUHKIJYXVDHA-NSOVKSMOSA-N
분자식
C40H65N7O11
평균 분자량
820 g/mol

이름 및 식별자

우선 이름
(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid
IUPAC
(4S)-4-[[(2S)-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

이름 및 동의어

SCHEMBL2834575BPYUHKIJYXVDHA-NSOVKSMOSA-N(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid

데이터베이스 식별자

PubChem CID
59404337

물성

구조 계산 물성

XLogP
1.2
극성 표면적
223 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
28
무거운 원자 수
58

관련 반응

8건

연결된 노트

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