AG001Y49

1685-33-2 | D-Valine, N-[(phenylmethoxy)carbonyl]-

AG001Y49

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CAS Number	1685-33-2
Catalog Number	AG001Y49(AGN-PC-0O4RSZ)
Chemical Name	D-Valine, N-[(phenylmethoxy)carbonyl]-
IUPAC Name	(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChI Key	CANZBRDGRHNSGZ-LLVKDONJSA-N
MDL Number	MFCD00065703
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	[C@@H](NC(=O)OCc1ccccc1)(C(C)C)C(=O)O
Synonyms	1685-33-2, Z-D-Val-OH, N-Cbz-D-valine, Cbz-D-Val-OH, N-Benzyloxycarbonyl-D-valine, CBZ-D-VALINE, N-Carbobenzoxy-D-valine, D-Valine, N-[(phenylmethoxy)carbonyl]-, BENZYLOXYCARBONYL-D-VALINE, MFCD00065703, (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid, (R)-2-(((Benzyloxy)carbonyl)amino)-3-methylbutanoic acid, Z-D-Valine, (2R)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid, n-[(benzyloxy)carbonyl]-d-valin, zlchem 299, PubChem9717, AC1LEHUM, AC1Q1NPW, n-benzyloxycarbonyl d-valine, KSC174I1P, AC1Q5R22, SCHEMBL2978398, CTK0H4417, ZLC0119, CANZBRDGRHNSGZ-LLVKDONJSA-N, N-[(benzyloxy)carbonyl]-D-valine, N-alpha-Benzyloxycarbonyl-D-valine, ZINC105351, ACT07329, N-[(benzyloxy) carbonyl]-D-valine, ANW-41481, CCG-46181, CZ-051, AKOS015924216, AM82370, RTR-007324, AJ-11202, AN-49691, AS-12746, SC-01611, AB0005394, TL8001304, FT-0629949, ST24035214, M-1591, 685Z332, A810980, (R)-2-benzyloxycarbonylamino-3-methyl-butyric acid, J-300299, Q-101853, SR-01000635893-1, (R)-2-(benzyloxycarbonylamino)-3-methylbutanoic acid, (2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoic acid, (2R)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoic acid AldrichCPR, (2R)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoic acid, AldrichCPR, N-Carbobenzyloxy-D-valine, C13H17NO4, AR-1K3244, CID712434, NSC 33501, ACN-033715, N-Carbobenzyloxy-D-valine, 98% - 1G 1g, A6916, C2139, 17291-89-3,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	251.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.282g/mol
Monoisotopic Mass	251.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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