AG00I48Z

21881-18-5 | L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-

AG00I48Z

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CAS Number	21881-18-5
Catalog Number	AG00I48Z(AGN-PC-0O7WVI)
Chemical Name	L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
IUPAC Name	(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI	InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1
InChI Key	LEJTXQOVOPDGHS-YOEHRIQHSA-N
MDL Number	MFCD00037237
Molecular Formula	C20H22N2O5
Molecular Weight	370.3991
SMILES	O=C(N[C@@H](C)C(O)=O)[C@H](CC1=CC=CC=C1)NC(OCC2=CC=CC=C2)=O
Synonyms	N-(alpha)-benzyloxycarbonyl-D-phenylalanyl-L-alanine, N-benzyloxycarbonylphenylalanylalanine, N-benzyloxycarbonylphenylalanylalanine, (D-Ala-L-Phe)-isomer, N-benzyloxycarbonylphenylalanylalanine, (D-Ala-Phe)-isomer, N-benzyloxycarbonylphenylalanylalanine, (L-Ala-DL-Phe)-isomer, Z-Phe-Ala, Z-PHE-ALA-OH, 21881-18-5, Z-Phe-ala, N-Benzyloxycarbonylphenylalanylalanine, N-Cbz-Phe-Ala-OH, CHEMBL430922, 16088-00-9, (S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)propanoic acid, L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-, AK-48037, Cbz-Phe-Ala-OH, Z-Phe-Ala-H, Z-L-Phe-L-Ala-OH, AC1L47QE, N(alpha)-Benzyloxycarbonyl-D-phenylalanyl-L-alanine, SCHEMBL5484209, N-Cbz-L-phenylalanyl-L-alanine, CTK4D0636, KS-00000HAK, DTXSID30167019, N-carbobenzoxyphenylalanyl-alanine, LEJTXQOVOPDGHS-YOEHRIQHSA-N, ZINC2384806, BDBM50284778, MFCD00037237, AKOS015913991, AJ-35126, DS-14553, N-carbobenzyloxy-L-phenylalanyl-L-alanine, AX8157444, ST2402756, N-Benzyloxycarbonyl-L-Phenylalanyl-L-Alanine, ST51016182, V4400, K-6201, N-[(benzyloxy)carbonyl]-L-phenylalanyl-L-alanine, L-Alanine, N-(N-((phenylmethoxy)carbonyl)-D-phenylalanyl)-, L-Alanine,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl- (9CI), (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoic acid, (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid, (2S)-2-{(2S)-3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoylamino}propanoic acid, C20H22N2O5, CID152128, C20-H22-N2-O5, Cbz-Phe-Ala-OH, 98% - 5G 5g,

Complexity	499
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	370.153g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	370.405g/mol
Monoisotopic Mass	370.153g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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