N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine Methyl Ester

HCID 10520283

기본 정보

CAS
154248-99-4
표준 SMILES
COC(=O)[C@@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C
InChIKey
WMOQPDKCUZISQT-LBPRGKRZSA-N
분자식
C15H25N3O3S
평균 분자량
327.4 g/mol
단동위원소 질량
327.16166266

이름 및 식별자

우선 이름
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine Methyl Ester
IUPAC
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
영어명
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester
분자식
C15H25N3O3S
분자량
327.44

이름 및 동의어

154248-99-4N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine Methyl EsterDTXSID70441229RefChem:1090725DTXCID80392051Methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoateN-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valine Methyl EsterL-Valine,N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-, methyl esterWMOQPDKCUZISQT-LBPRGKRZSA-Nmethyl (2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanoateSCHEMBL2736207Methyl (((2-isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-L-valinate
이름 더 보기
Valine Impurity 101N-[Methyl-(2-isopropyl-4-thiazolylmethyl)amino-carbonyl]-L-valine methyl ester(S)-methyl 2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoateN-[[Methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-L-valine methyl esterL-Valine, N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-, methyl esterN-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester USP/EP/BPN-[N-Methyl-N-[[(2-Isopropyl-4-Thiazolyl) Methyl] Amino] Carbonyl]-L-valine Methyl Ester (MTA-I)methyl(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine Methyl EsterMethyl N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinateN-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valinemethylester

데이터베이스 식별자

CAS
154248-99-4
PubChem CID
10520283
DTXSID
DTXSID70441229
Nikkaji
J1.631.163D

물성

구조 계산 물성

XLogP
2.6
극성 표면적
99.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
22

물리화학적 성질

녹는점
73 · 73-74°C
끓는 점
490.9 · 490.9±35.0 °C(Predicted)
밀도
1.136 · 1.136
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
12.22 · 12.22±0.46(Predicted)

화학적 성질

Off-White Solid

화학 및 산업

공급사17 곳

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]

관련 반응

69건

화합물 노트

불러오는 중…