AG001604

1217811-51-2 | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3S)-

AG001604

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CAS Number	1217811-51-2
Catalog Number	AG001604(AGN-PC-0WAMF3)
Chemical Name	Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3S)-
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoic acid
InChI	InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-8(5-6-17-4)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChI Key	HBFKPNZCUUZRLA-MRVPVSSYSA-N
MDL Number	MFCD06202399
Molecular Formula	C11H21NO4S
Molecular Weight	263.3537
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CCSC
Synonyms	1217811-51-2, (S)-3-((tert-butoxycarbonyl)amino)-5-(methylthio)pentanoic acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoic acid, AC1MC564, CTK7B5628, KS-00000TAM, ZINC2504853, AKOS015900663, BL840-1, DS-9877, AC-22084, CS-0060982, I14-15626, (3S)-3-(tert-butoxycarbonylamino)-5-(methylthio)valeric acid, (3S)-3-(tert-butoxycarbonylamino)-5-methylsulfanyl-pentanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-5-(methylsulfanyl)pentanoic acid, (S)-3-TERT-BUTOXYCARBONYLAMINO-5-METHYLSULFANYL-PENTANOIC ACID, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-pentanoic acid, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(methylthio)pentanoic acid, Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(methylthio)-, (3S)-, Boc-L-beta-homomethionine, HBFKPNZCUUZRLA-MRVPVSSYSA-N, CID2761534, 244251-20-5, (R)-3-((tert-Butoxycarbonyl)amino)-5-(methylthio)pentanoic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-pentanoic Acid,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	263.119g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	263.352g/mol
Monoisotopic Mass	263.119g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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