AG002JZC

20898-44-6 | 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

AG002JZC

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CAS Number	20898-44-6
Catalog Number	AG002JZC(AGN-PC-0O7OSQ)
Chemical Name	2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid
EC Number	244-105-1
IUPAC Name	(2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChI Key	OUHPNBGKEMHUCQ-HNNXBMFYSA-N
MDL Number	MFCD00066093
Molecular Formula	C18H23N3O4
Molecular Weight	345.3929
SMILES	CC(C)(C)OC(N[C@H](C(O)=O)CC1=CN(C=N1)CC2=CC=CC=C2)=O
UNII	9F4A95WI5Z
Synonyms	Boc-His(Bzl)-OH, 20898-44-6, (2S)-3-(1-benzyl-1H-imidazol-4-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid, UNII-9F4A95WI5Z, 9F4A95WI5Z, 1-Benzyl-N-(tert-butoxycarbonyl)-L-histidine, AC1ODTMN, Boc-L-His(Bzl)-OH, AC1Q1MS8, N-[(1,1-Dimethylethoxy)carbonyl]-1-phenylmethyl-L-histidine, L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)-, SCHEMBL17642069, CTK8F8283, BCP14259, 0684AB, MFCD00066093, ZINC19594530, MCULE-7284044875, N(alpha)-boc-N(im)-benzyl-L-histidine, AC-17186, AJ-28560, Boc-His(Bzl)-OH, >=98.0% (TLC), ST2419166, FT-0638063, EN300-72022, K-6041, J-013706, Z1270387292, (2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2S)-3-(1-benzylimidazol-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, (S)-3-(1-benzyl-1H-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid, BOC-HIS -OH, C18H23N3O4, NSC164043, CID6993429,

Complexity	458
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	345.169g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	345.399g/mol
Monoisotopic Mass	345.169g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	93.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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