Boc-L-Val-ONp

CAT: 0024-sc-293896Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293896Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

16948-40-6

Chemical Information

(S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate

CAS Number	16948-40-6
PubChem CID	7018798
IUPAC Name	(4-nitrophenyl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Molecular Formula	C16H22N2O6
Molecular Weight	338.36
XLogP	3.6
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	458

SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O6/c1-10(2)13(17-15(20)24-16(3,4)5)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-10,13H,1-5H3,(H,17,20)/t13-/m0/s1

InChIKey

ALJZEMRUAOJSPP-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 16948-40-6

CID: 7018798

Formula: C16H22N2O6

MW: 338.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.36
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	338.14778643
Monoisotopic Mass	338.14778643
Topological Polar Surface Area	110 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	458
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes