Methyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-1-methyl-2-indolyl)propionate

HCID 57060150

기본 정보

표준 SMILES
COC(=O)C(Cc1cc2cc(C#N)ccc2n1C)c1ccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1
InChIKey
VNSHRUBNYSUEAS-SKCDSABHSA-N
분자식
C29H33N3O5
평균 분자량
503.6 g/mol

이름 및 식별자

우선 이름
Methyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-1-methyl-2-indolyl)propionate
IUPAC
tert-butyl (3S)-3-[4-[3-(5-cyano-1-methylindol-2-yl)-1-methoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL7380024VNSHRUBNYSUEAS-SKCDSABHSA-Nmethyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-1-methyl-2-indolyl)-propionateMethyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-1-methyl-2-indolyl)propionate

데이터베이스 식별자

PubChem CID
57060150

물성

구조 계산 물성

XLogP
4.6
극성 표면적
93.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
9
무거운 원자 수
37

관련 반응

4건

화합물 노트

불러오는 중…

Methyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-1-methyl-2-indolyl)propionate (HCID 57060150)|Huagongshe