AG002CFF

1999-45-7 | Phenylalanine, alanyl-

AG002CFF

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CAS Number	1999-45-7
Catalog Number	AG002CFF(AGN-PC-0O6YT1)
Chemical Name	Phenylalanine, alanyl-
EC Number	217-885-6
IUPAC Name	2-(2-aminopropanoylamino)-3-phenylpropanoic acid
InChI	InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)
InChI Key	OMNVYXHOSHNURL-UHFFFAOYSA-N
MDL Number	MFCD00008074
Molecular Formula	C12H16N2O3
Molecular Weight	236.2670
SMILES	O=C(O)C(CC1=CC=CC=C1)NC(C(C)N)=O
Synonyms	dl-Alanyl-dl-phenylalanine, 1999-45-7, 2-(2-aminopropanamido)-3-phenylpropanoic acid, alanyl-DL-phenylalanine, DL-Ala-DL-Phe, 2-(2-aminopropanoylamino)-3-phenylpropanoic acid, L-Phenylalanine, N-L-alanyl-, CHEMBL161461, (S)-2-((R)-2-Aminopropanamido)-3-phenylpropanoic acid, dl-Alanyl-l-phenylalanine, AF dipeptide, DL-Phenylalanine, N-DL-alanyl-, N-DL-Alanyl-DL-3-phenylalanine, A-F Dipeptide, alanyl-phenylalanine, EINECS 217-885-6, Spectrum_000420, ACMC-1BNPK, AC1L1CVF, 2-(2-Amino-propionylamino)-3-phenyl-propionic acid, Spectrum2_001347, H-DL-Ala-DL-Phe-OH, AC1Q5SC7, KBioSS_000900, DivK1c_000446, Alanine Phenylalanine dipeptide, Alanine-Phenylalanine dipeptide, SPBio_001533, SCHEMBL2597740, HMS501G08, KBio1_000446, KBio2_000900, KBio2_003468, KBio2_006036, CHEBI:137013, NINDS_000446, OMNVYXHOSHNURL-UHFFFAOYSA-N, NSC89630, NSC89668, 5994AF, ANW-23887, BDBM50085098, CCG-39285, MFCD00008074, N-(2-Aminopropanoyl)phenylalanine #, NSC-89630, NSC-89668, NSC118375, NSC339933, SBB058092, AKOS009157695, MCULE-6186580574, NSC-118375, NSC-339933, IDI1_000446, KS-000011T3, DB-045054, TR-009309, A0223, FT-0633968, ST50410921, I14-53961, 2-((2R)-2-aminopropanoylamino)(2S)-3-phenylpropanoic acid, 59905-28-1, Alanylphenylalanine, Ala-phe, L-Alanyl-L-phenylalanine, H-Ala-Phe-OH, CID2080, C12H16N2O3, AR-1H6712, C12-H16-N2-O3, 3061-90-3, 3061-95-8, 61623-62-9,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.116g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	236.271g/mol
Monoisotopic Mass	236.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

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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