AG002APK

19728-57-5 | Histidine, N-[(phenylmethoxy)carbonyl]-

AG002APK

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CAS Number	19728-57-5
Catalog Number	AG002APK(AGN-PC-0QOXCK)
Chemical Name	Histidine, N-[(phenylmethoxy)carbonyl]-
EC Number	239-084-0
IUPAC Name	3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)
InChI Key	WCOJOHPAKJFUDF-UHFFFAOYSA-N
MDL Number	MFCD00037852
Molecular Formula	C14H15N3O4
Molecular Weight	289.2866
NSC Number	169138
SMILES	O=C(O)C(NC(OCC1=CC=CC=C1)=O)CC2=CNC=N2
Synonyms	N-Cbz-dl-histidine, Z-DL-His-OH, 19728-57-5, N-Carbobenzoxy-DL-histidine, MFCD00037852, AK170043, Cbz-DL-histidine, N|A-Z-L-Histidine, Carbobenzoxy-dl-histidine, N-[(Benzyloxy)carbonyl]histidine, AK163645, NSC169138, 2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid, AC1Q5SJJ, ACMC-209u4b, .alpha.-N-Cbz-dl-histidine, N|A-Carbobenzoxy-L-histidine, AC1L3A82, N-Benzyloxycarbonyl-L-histidine, SCHEMBL4178755, CHEMBL1161934, SCHEMBL12652209, CTK4E2144, DTXSID70275824, WCOJOHPAKJFUDF-UHFFFAOYSA-N, KS-00000GS1, EINECS 239-084-0, N-[(Benzyloxy)carbonyl]histidine #, 7546AH, SBB057709, AKOS000175170, AKOS024302276, AKOS025116956, BBV-067168, DS-9742, Histidine,N-[(phenylmethoxy)carbonyl]-, MCULE-2593581307, NSC-169138, ACM19728575, SY041761, FT-0747177, MFCD00065960 (97%), 2-(benzyloxycarbonylamino)-3-(1H-imidazol-4-yl)propanoic acid, 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid, (2S)-3-imidazol-5-yl-2-[(phenylmethoxy)carbonylamino]propanoic acid, Z-D-His-OH, N-Cbz-L-histidine, Z-His-OH, Nalpha-Cbz-L-histidine, C14H15N3O4, CID85793, AR-1K3270, 14997-58-1, 67424-93-5, 1744-54-3,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.106g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	289.291g/mol
Monoisotopic Mass	289.106g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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