Boc-D-Trp (For) -OH

CAT: 0024-sc-293763Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293763Size:1 g

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CAS Number

64905-10-8

Chemical Information

Boc-D-Trp(For)-OH

CAS Number	64905-10-8
PubChem CID	7021874
IUPAC Name	(2R)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C17H20N2O5
Molecular Weight	332.4
XLogP	2.5
Topological Polar Surface Area	97.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	488

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22)/t13-/m1/s1

InChIKey

IHXHBYFWSOYYTR-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 64905-10-8

CID: 7021874

Formula: C17H20N2O5

MW: 332.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	332.13722174
Monoisotopic Mass	332.13722174
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	488
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