tert-butyl {2-[[(7R)-14-cyclohexyl-11-[({[(2,2-dimethoxyethyl)(methyl)amino]-sulfonyl}amino)carbonyl]-3-(pyridin-2-ylmethoxy)-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocin-7-yl](methyl)amino]ethyl}methylcarbamate

HCID 67344800
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기본 정보

표준 SMILES
COC(CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](N(C)CCN(C)C(=O)OC(C)(C)C)COc1cc(OCc2ccccn2)ccc1-3)OC
InChIKey
LTANDKHLGGFFKO-MGBGTMOVSA-N
분자식
C44H60N6O9S
평균 분자량
849 g/mol

이름 및 식별자

우선 이름
tert-butyl {2-[[(7R)-14-cyclohexyl-11-[({[(2,2-dimethoxyethyl)(methyl)amino]-sulfonyl}amino)carbonyl]-3-(pyridin-2-ylmethoxy)-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocin-7-yl](methyl)amino]ethyl}methylcarbamate
IUPAC
tert-butyl N-[2-[[(10R)-19-cyclohexyl-15-[[2,2-dimethoxyethyl(methyl)sulfamoyl]carbamoyl]-5-(pyridin-2-ylmethoxy)-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]-methylamino]ethyl]-N-methylcarbamate

이름 및 동의어

SCHEMBL2276817LTANDKHLGGFFKO-MGBGTMOVSA-Ntert-butyl {2-[[(7R)-14-cyclohexyl-11-[({[(2,2-dimethoxyethyl)(methyl)amino]-sulfonyl}amino)carbonyl]-3-(pyridin-2-ylmethoxy)-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocin-7-yl](methyl)amino]ethyl}methylcarbamatetert-butyl {2-[[(7R)-14-cyclohexyl-11-[({[(2,2-dimethoxyethyl)(methyl)amino]sulfonyl}amino)carbonyl]-3-(pyridin-2-ylmethoxy)-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocin-7-yl](methyl)amino]ethyl}methylcarbamate

데이터베이스 식별자

PubChem CID
67344800

물성

구조 계산 물성

XLogP
5.9
극성 표면적
162 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
12
회전 가능 결합 수
17
무거운 원자 수
60

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