(3S,4R)-3-Hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 59512299

기본 정보

표준 SMILES
COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CO)C(C)C)ccc1OC
InChIKey
DMRKGDVOGDVRHD-SFTDATJTSA-N
분자식
C26H42N2O7
평균 분자량
494.6 g/mol
단동위원소 질량
494.29920168

이름 및 식별자

우선 이름
(3S,4R)-3-Hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL2931249DMRKGDVOGDVRHD-SFTDATJTSA-N(3S*,4R*)-3-Hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester(3S,4R)-3-Hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester(3S,4R)-3-hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)pyrrolidine-1-carboxylic acid tert-butyl ester(3S,4R)-3-hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
59512299

물성

구조 계산 물성

XLogP
2.8
극성 표면적
97.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
13
무거운 원자 수
35

관련 반응

12건

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