AG0035DG

1161-13-3 | (2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid

AG0035DG

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CAS Number	1161-13-3
Catalog Number	AG0035DG(AGN-PC-0NYXPD)
Chemical Name	(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
IUPAC Name	(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChI Key	RRONHWAVOYADJL-HNNXBMFYSA-N
MDL Number	MFCD00020418
Molecular Formula	C17H17NO4
Molecular Weight	299.3212
SMILES	C(=O)(OCC1=CC=CC=C1)N[C@@H](CC1=CC=CC=C1)C(=O)O
Synonyms	benzyloxycarbonylphenylalanine, carbobenzoxyphenylalanine, carbobenzoxyphenylalanine, (D-Phe)-isomer, carbobenzoxyphenylalanine, (DL-Phe)-isomer, carbobenzoxyphenylalanine, sodium salt, (L-Phe)-isomer, Z-Phe, 1161-13-3, Z-Phe-OH, N-CBZ-L-PHENYLALANINE, Carbobenzoxyphenylalanine, Cbz-Phe-OH, N-Carbobenzoxy-L-phenylalanine, Z-L-Phenylalanine, Carbobenzoxy-L-phenylalanine, N-(Carbobenzyloxy)-L-phenylalanine, (Benzyloxycarbonyl)phenylalanine, N-Carbobenzyloxy-L-phenylalanine, Cbz-Phe, CBZ-L-Phenylalanine, L-N-Carboxy-3-phenylalanine N-benzyl ester, EINECS 214-599-3, MFCD00020418, N-Benzyloxycarbonyl-L-3-phenylalanine, NSC 402059, Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L-, (S)-2-(Benzyloxycarbonylamino)-3-phenylpropanoicacid, (S)-2-(benzyloxycarbonylamino)-3-phenylpropanoic acid, CHEMBL66143, N-((Phenylmethoxy)carbonyl)-L-phenylalanine, (2S)-2-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acid, RRONHWAVOYADJL-HNNXBMFYSA-N, n-benzyloxycarbonyl-l-phenylalanine, Phenylalanine, N-[(phenylmethoxy)carbonyl]-, L-Phenylalanine, N-((phenylmethoxy)carbonyl)-, L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, J-300211, N-carbobenzyloxy-dl-phenylalanine, N-Carbobenzyloxy-L-phenylalanine, 99+%, CBZ-L-phenylalaine, CBZ-L-PHE, N-[(Benzyloxy)carbonyl]phenylalanine #, ZPheOH, AK-32918, N-Cbz-phenylalanine, N-CBz phenylalanine, Z-Phe, Z-PheOH, N-(benzyloxycarbonyl)-L-phenylalanine, PubChem10514, Z-L-Phe-OH, AC1Q5QSU, Z-(L)-Phe-OH, N-carbobenzoxy-phenylalanine, AC1L2F2D, benzyloxycarbonylphenylalanine, Z-Phe-OH, 99%, KSC175A9P, SCHEMBL220648, N-benzyloxycarbonylphenylalanine, Jsp001155, benzyloxycarbonyl-L-phenylalanine, CTK0H5097, ZINC38519, DTXSID30151276, n-benzyloxycarbonyl-s-phenylalanine, ACT06651, ALBB-028189, KS-00000AA8, n-benzyloxycarbonyl-l-phenyl alanine, ZX-AT021902, ANW-16940, BDBM50043796, SBB028600, AKOS010373384, AKOS015839335, N-Benzyloxycarbonyl-(L)-Phenylalanine, AC-7045, AM82160, AN-9374, CS-W012139, MCULE-6887552669, nalpha-benzyloxycarbonyl-l-phenylalanine, OR17020, RTR-002995, N-[(Benzyloxy)carbonyl]-L-phenylalanine, N-alpha-Benzyloxycarbonyl-L-phenylalanine, Nalpha -Benzyloxycarbonyl-L-phenylalanine, AJ-08793, AS-12743, BBV-35781075, BP-13289, LS-15933, AB0004792, AB1002865, AX8008557, DB-030165, ST2414577, TL8000471, TR-002995, C0660, FT-0648843, M-5831, M03068, C-18708, Nalpha -[(phenylmethoxy)carbonyl]-L-phenylalanine, (S)-2-Benzyloxycarbonylamino-3-phenyl-propionic acid, L-Phenylalanine, N-((phenylmethoxy)carbonyl)- (9CI), N-(Carbobenzyloxy)-L-phenylalanine; Z-L-Phenylalanine, (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid, (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid, (S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoic acid, (2S)-3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoic acid, C17H17NO4, CID70878, AR-1K6581, C17-H17-N-O4, N-[(Benzyloxy)carbonyl]phenylalanine, ACN-033448, CB10811, Z-Phe-OH, 98% - 25G 25g, C219, A6946, N-Carbobenzoxy-L-phenylalanine, 98% - 25G 25g, 3588-57-6, 4748-86-1,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.116g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.326g/mol
Monoisotopic Mass	299.116g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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