Z-D-Phe-OSu

CAT: 0127-BIP362Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

3397-36-2

Synonyms

N-Benzyloxycarbonyl-D-phenylalanine-N-hydroxysuccinimide ester

MDL Number

MFCD00672535

Smiles

O=C(N[C@H](Cc1ccccc1)C(=O)ON2C(=O)CCC2=O)OCc3ccccc3

Chemical Information

Z-D-Phe-osu

CAS Number	3397-36-2
PubChem CID	11811367
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Molecular Formula	C21H20N2O6
Molecular Weight	396.4
XLogP	2.5
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	594

SMILES

C1CC(=O)N(C1=O)OC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c24-18-11-12-19(25)23(18)29-20(26)17(13-15-7-3-1-4-8-15)22-21(27)28-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)/t17-/m1/s1

InChIKey

MOJNKVWQJKPXCT-QGZVFWFLSA-N

Chemical Structure

2D Structure

CAS: 3397-36-2

CID: 11811367

Formula: C21H20N2O6

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	396.13213636
Monoisotopic Mass	396.13213636
Topological Polar Surface Area	102 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	594
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