AG003CK9

57105-50-7 | N-(3-Indolylacetyl)-L-phenylalanine

AG003CK9

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CAS Number	57105-50-7
Catalog Number	AG003CK9(AGN-PC-0OCI0O)
Chemical Name	N-(3-Indolylacetyl)-L-phenylalanine
IUPAC Name	(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid
InChI	InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24)/t17-/m0/s1
InChI Key	BUGQHORRADGONS-KRWDZBQOSA-N
MDL Number	MFCD00075336
Molecular Formula	C19H18N2O3
Molecular Weight	322.3578
SMILES	O=C(O)[C@@H](NC(CC1=CNC2=C1C=CC=C2)=O)CC3=CC=CC=C3
UNII	7DQ9F5L55Y
Synonyms	57105-50-7, N-(3-Indolylacetyl)-L-phenylalanine, (S)-2-(2-(1H-indol-3-yl)acetamido)-3-phenylpropanoic acid, Indole-3-acetylphenylalanine, IAA-L-Phe, Indoleacetyl phenylalanine, UNII-7DQ9F5L55Y, Indole-3-acetyl-L-phenylalanine, 7DQ9F5L55Y, L-phenylalanine, N-(1H-indol-3-ylacetyl)-, I-1600, Indol acetyl phenylalanine, Indol-3 acetyl phenylalanine, Phenylalanine, N-(1H-indol-3-ylacetyl)-, AC1LD8T3, L-Phenylalanine, N-(2-(1H-indol-3-yl)acetyl)-, SCHEMBL503091, (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid, CTK3F8282, DTXSID30205728, ZINC389660, ANW-57419, CI-111, MFCD00075336, AKOS015889635, AJ-20897, AN-40005, AS-15813, CC-31418, Q873, N-(1H-Indol-3-ylacetyl)-L-phenylalanine, AX8009025, TC-146164, TL8003676, FT-0629183, ST24035859, N-(3-Indolylacetyl)-L-phenylalanine, AldrichCPR, 105I507, C-19729, L-Phenylalanine, N-(1H-indol-3-ylacetyl)- (9CI), (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenyl-propanoic acid, N- -L-phenylalanine, C19H18N2O3, CID644227, ACN-033492, A13327, (S)-2-(2-(1H-Indol-3-yl)acetamido)-3-phenylpropanoicacid, 92519-27-2,

Complexity	448
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	322.132g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	322.364g/mol
Monoisotopic Mass	322.132g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	82.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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