(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid

HCID 15719345
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기본 정보

CAS
62631-37-2
표준 SMILES
CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O
InChIKey
ZQLMBOMVHDKAKS-HNNXBMFYSA-N
분자식
C15H21NO6
평균 분자량
311.33 g/mol

이름 및 식별자

우선 이름
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
IUPAC
(2S)-3-(3,4-dihydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

이름 및 동의어

62631-37-2(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acidRefChem:397977986-243-1N-(t-butoxycarbonyl)-3-hydroxy-alpha-methyltyrosine(2S)-3-(3,4-dihydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)-2-methylpropanoicacidSCHEMBL10723235ZQLMBOMVHDKAKS-HNNXBMFYSA-NEN300-1071619N-(t-Butoxycarbonyl)-3-(3,4-dihydroxyphenyl)-2-methylalanine

데이터베이스 식별자

CAS
62631-37-2
PubChem CID
15719345
EC Number
986-243-1

물성

구조 계산 물성

XLogP
2
극성 표면적
116 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
22

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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2건
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