AG002CV3

200625-96-3 | D-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)-

AG002CV3

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CAS Number	200625-96-3
Catalog Number	AG002CV3(AGN-PC-0QRJ3E)
Chemical Name	D-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)-
IUPAC Name	(2R)-5-amino-5-oxo-2-[phenylmethoxycarbonyl(trityl)amino]pentanoic acid
InChI	InChI=1S/C32H30N2O5/c33-29(35)22-21-28(30(36)37)34(31(38)39-23-24-13-5-1-6-14-24)32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H2,33,35)(H,36,37)/t28-/m1/s1
InChI Key	UMBDCOHCTVLOSZ-MUUNZHRXSA-N
MDL Number	MFCD00237348
Molecular Formula	C32H30N2O5
Molecular Weight	522.5910
SMILES	O=C(O)[C@H](N(C(OCC1=CC=CC=C1)=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCC(N)=O
Synonyms	(R)-5-Amino-2-(((benzyloxy)carbonyl)(trityl)amino)-5-oxopentanoic acid, 200625-96-3, AK201403, KS-00000TEQ, ZINC56956150, AKOS027252551, DS-10259, D-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)-,

Complexity	747
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	522.215g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	522.601g/mol
Monoisotopic Mass	522.215g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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