(R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoic acid

HCID 22874698CAS 174894-18-9

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CSCC#N)C(=O)O
InChIKey: JHNYJFOVOSZPPP-ZETCQYMHSA-N
분자식: C10H16N2O4S
평균 분자량: 260.31 g/mol

이름 및 식별자

우선 이름: (R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoic acid
IUPAC: (2R)-3-(cyanomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

이름 및 동의어

174894-18-9(R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoic acidRefChem:407162819-791-6(2R)-2-([(tert-Butoxy)carbonyl]amino)-3-[(cyanomethyl)sulfanyl]propanoic acid(2R)-3-(cyanomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(cyanomethyl)sulfanyl]propanoic acidSCHEMBL7391396JHNYJFOVOSZPPP-ZETCQYMHSA-NN-Boc-S-(cyanomethyl)-L-cysteineG59703EN300-1692703

이름 더 보기

(R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoicacid

데이터베이스 식별자

CAS: 174894-18-9
PubChem CID: 22874698
EC Number: 819-791-6

물성

구조 계산 물성

XLogP: 1
극성 표면적: 125 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 329

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.