methyl 2-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-4-methyl-pentanoate

Modify Date: 2025-08-26 19:17:15

methyl 2-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-4-methyl-pentanoate structure	Common Name	methyl 2-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-4-methyl-pentanoate
	CAS Number	35959-71-8	Molecular Weight	527.11800
	Density	N/A	Boiling Point	625.1ºC at 760 mmHg
	Molecular Formula	C₂₉H₃₅ClN₂O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	331.9ºC

Name	Valeric acid, 2-[2-amino-3-(tritylthio)propionamido]-4-methyl-, methyl ester, hydrochloride

Boiling Point	625.1ºC at 760 mmHg
Molecular Formula	C₂₉H₃₅ClN₂O₃S
Molecular Weight	527.11800
Flash Point	331.9ºC
Exact Mass	526.20600
PSA	106.72000
LogP	6.63610
InChIKey	XKKUFVJTJOGHTI-UHFFFAOYSA-N
SMILES	COC(=O)C(CC(C)C)NC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OH3200000

CHEMICAL NAME :: L-Leucine, N-(S-(triphenylmethyl)-L-cysteinyl)-, methyl ester, monohydrochloride

CAS REGISTRY NUMBER :: 35959-71-8

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C29-H34-N2-O3-S.Cl-H

MOLECULAR WEIGHT :: 527.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,13,1972

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