Boc-L-Trp-OMe

CAT: 0024-sc-293886Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293886Size:5 g

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

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CAS Number

33900-28-6

Chemical Information

Boc-trp-ome

CAS Number	33900-28-6
PubChem CID	7021503
IUPAC Name	methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Formula	C17H22N2O4
Molecular Weight	318.4
XLogP	2.8
Topological Polar Surface Area	80.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	433

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-14(15(20)22-4)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,9H2,1-4H3,(H,19,21)/t14-/m0/s1

InChIKey

QXLOVPXUZAOKBL-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 33900-28-6

CID: 7021503

Formula: C17H22N2O4

MW: 318.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	318.15795719
Monoisotopic Mass	318.15795719
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	433
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