3-({2-[(Tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropoxy}methyl)-5-[(methylsulfonyl)(propyl)amino]benzoic acid

HCID 58856337

기본 정보

표준 SMILES
CCCN(c1cc(COCC(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(C(=O)O)c1)S(C)(=O)=O
InChIKey
VOIUOHXSHKMVMW-UHFFFAOYSA-N
분자식
C27H38N2O7S
평균 분자량
534.7 g/mol
단동위원소 질량
534.23997273

이름 및 식별자

우선 이름
3-({2-[(Tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropoxy}methyl)-5-[(methylsulfonyl)(propyl)amino]benzoic acid
IUPAC
3-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]methyl]-5-[methylsulfonyl(propyl)amino]benzoic acid

이름 및 동의어

SCHEMBL2216433VOIUOHXSHKMVMW-UHFFFAOYSA-N3({2-[(tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropoxy}methyl)-5-[(methylsulfonyl)(propyl)amino]benzoic acid3-({2-[(tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropoxy}methyl)-5-[(methylsulfonyl)(propyl)amino]benzoic acid

데이터베이스 식별자

PubChem CID
58856337

물성

구조 계산 물성

XLogP
4.1
극성 표면적
131 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
14
무거운 원자 수
37

관련 반응

11건

화합물 노트

불러오는 중…

3-({2-[(Tert-butoxycarbonyl)amino]-2-methyl-3-phenylpropoxy}methyl)-5-[(methylsulfonyl)(propyl)amino]benzoic acid (HCID 58856337)|Huagongshe