methyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate

HCID 86705269
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)N(C)[C@H]1[C@@H](C)C[C@@H](c2ccncc2N)C[C@H]1NC(=O)OC(C)(C)C
InChIKey
XEOUCFVVYKZRFN-IXKJSCDLSA-N
분자식
C20H32N4O4
평균 분자량
392.5 g/mol

이름 및 식별자

우선 이름
methyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate
IUPAC
methyl N-[(1S,2S,4R,6R)-4-(3-amino-4-pyridinyl)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-N-methylcarbamate

이름 및 동의어

SCHEMBL15588838XEOUCFVVYKZRFN-IXKJSCDLSA-N(+/-)-methyl ((1 S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate(+/-)-methyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamatemethyl ((1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl)(methyl)carbamate

데이터베이스 식별자

PubChem CID
86705269

물성

구조 계산 물성

XLogP
2.2
극성 표면적
107 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
28

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