AG001T8V

162537-11-3 | L-Valine, N-(methoxycarbonyl)-3-methyl-

AG001T8V

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CAS Number	162537-11-3
Catalog Number	AG001T8V(AGN-PC-0O4NB7)
Chemical Name	L-Valine, N-(methoxycarbonyl)-3-methyl-
IUPAC Name	(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
InChI	InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChI Key	NWPRXAIYBULIEI-RXMQYKEDSA-N
MDL Number	MFCD07778455
Molecular Formula	C8H15NO4
Molecular Weight	189.2090
SMILES	CC(C)(C)[C@H](NC(OC)=O)C(O)=O
Synonyms	162537-11-3, Methoxycarbonyl-L-tert-leucine, N-Methoxycarbonyl-L-tert-leucine, (S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid, n-(methoxycarbonyl)-l-tert-leucine, (S)-N-(METHOXYCARBONYL)-TERT-LEUCINE, Moc-L-tert-Leucine, Methylcarbonyl-L-t-Leucine, L-Valine, N-(methoxycarbonyl)-3-methyl-, MFCD07778455, N-(Methoxycarbonyl)-3-methyl-L-valine, (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid, (S)-2-Methoxycarbonylamino-3,3-dimethylbutyric acid, (2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic Acid, N-Moc-L-tert-Leucine, Methyl Carbonyl L-tert Leucine, methoxycarbonyl-t-leucine, SCHEMBL6418, Atazanavir related compound A, KSC498G3H, CTK3J8333, DTXSID80460466, NWPRXAIYBULIEI-RXMQYKEDSA-N, ACN-S003003, ACT06799, BCP04718, CS-B0635, N-methoxycarbonyl-(L)-tert-leucine, N-Methoxycarbonyl-3-methyl-L-valine, ANW-47952, ZINC16698174, AKOS010384614, N-(methoxycarbonyl)-(L)-tert-leucine, RL02087, AC-23469, AJ-69480, AS-16159, BC201469, BR-60204, S820, SC-45140, AB0018795, AB1004607, RT-004532, ST2414564, FT-0654624, M-2427, 537M113, I06-1304, Q-102796, (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid, Methoxycarbonyl-L-tert-leucine; (S)-2-Methoxycarbonylamino-3,3-dimethylbutyric acid, MethylCarbonylL-tertLeucine, C8H15NO4, ACN-028482, CID11263950, BMS 214702-01, EC 431-620-3, (2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoic Acid,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	189.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.211g/mol
Monoisotopic Mass	189.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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