Boc-Asp (OtBu) -ONp

CAT: 0127-OR1054177Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1054177Size:250 mg

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CAS Number

29365-05-7

MDL Number

MFCD00076913

Purity

95%

Smiles

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

Chemical Information

Boc-Asp(OtBu)-ONp

CAS Number	29365-05-7
PubChem CID	7018733
IUPAC Name	4-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Molecular Formula	C19H26N2O8
Molecular Weight	410.4
XLogP	3.1
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	29
Formal Charge	0
Complexity	607

SMILES

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

InChI

InChI=1S/C19H26N2O8/c1-18(2,3)28-15(22)11-14(20-17(24)29-19(4,5)6)16(23)27-13-9-7-12(8-10-13)21(25)26/h7-10,14H,11H2,1-6H3,(H,20,24)/t14-/m0/s1

InChIKey

PHQSQVFTGWZWKF-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 29365-05-7

CID: 7018733

Formula: C19H26N2O8

MW: 410.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	410.16891579
Monoisotopic Mass	410.16891579
Topological Polar Surface Area	137 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	607
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

Catalog	Name
OR1012479-01	Boc-Asp (Otbu) -OH
BIB1012-01	Boc-D-Asp (OtBu) -OH
OR1012489-01	Boc-D-Asp (Otbu) -OH Dcha
OR1001917-01	Boc-Gly-ONp
OR1029189-01	Boc-Ala-Onp
OR1067376-01	Boc-Phe-ONp
BUP19539	H-Asp (OtBu) -OtBu HCl
OR963374-01	H-Asp (OtBu) -OtBu hydrochloride
OR36371-01	Fmoc-Asp-OtBu
OR1005164-01	H-Asp-OtBu