2,6-Dimethyltyrosyl-N-(3-phenylpropyl)alaninamide

HCID 9824220
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기본 정보

CAS
123689-66-7
표준 SMILES
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1
InChIKey
DGIVTTGQFOQCPP-UTKZUKDTSA-N
분자식
C23H31N3O3
평균 분자량
397.5 g/mol

개요

structure given in first source

이름 및 식별자

우선 이름
2,6-Dimethyltyrosyl-N-(3-phenylpropyl)alaninamide
IUPAC
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide

이름 및 동의어

2,6-Dimethyl-L-tyrosyl-N-(3-phenylpropyl)-D-alaninamideF156J3SXVX123689-66-7SC-39566D-Alaninamide, 2,6-dimethyl-L-tyrosyl-N-(3-phenylpropyl)-2,6-Dimethyltyrosyl-N-(3-phenylpropyl)alaninamideRefChem:83344CHEMBL311145(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamideUNII-F156J3SXVXSCHEMBL2268928DGIVTTGQFOQCPP-UTKZUKDTSA-N
이름 더 보기
BDBM50001850(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamideQ272775052-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide

데이터베이스 식별자

CAS
123689-66-7
PubChem CID
9824220
ChEMBL
CHEMBL311145
UNII
F156J3SXVX
Nikkaji
J457.352H

물성

구조 계산 물성

XLogP
3.1
극성 표면적
104 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
29

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