AG003OF4

218608-84-5 | (S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid

AG003OF4

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CAS Number	218608-84-5
Catalog Number	AG003OF4(AGN-PC-0QYDWI)
Chemical Name	(S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
InChI	InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key	MYWZFJXOLAXENE-ZDUSSCGKSA-N
MDL Number	MFCD01076264
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CCC1=CC=CC=C1
Synonyms	218608-84-5, (S)-3-(Boc-amino)-5-phenylpentanoic acid, (S)-3-((tert-butoxycarbonyl)amino)-5-phenylpentanoic acid, MFCD01076264, Boc-(S)-Amino-5-phenyl-pentanoic acid, AC1MC5CJ, Boc-?-Nva(5-Phenyl)-OH, Boc-5-phenyl-L-beta-norvaline, SCHEMBL3493706, MYWZFJXOLAXENE-ZDUSSCGKSA-N, ZINC2572718, AKOS025401556, CB-1268, AC-22143, ACM218608845, AK188102, AN-29512, PS-12267, TR-010243, FT-0643998, K-6197, I01-5180, (S)-3-tert-Butoxycarbonylamino-5-phenylpentanoic acid, (S)-3-(tert-butoxycarbonylamino)-5-phenylpentanoic acid, (3S)-3-(tert-butoxycarbonylamino)-5-phenyl-pentanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-5-phenylpentanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-5-phenylvaleric acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid, Boc-(S)-3-Amino-5-phenyl-pentanoic acid, Boc-(S)-3-Amino-5-phenylpentanoic acid, CID2761611, BOC- -3-AMINO-5-PHENYL-PENTANOICACID, (S)-3-(Boc-amino)-5-phenylpentanoic acid, 97.5% - 1G 1g, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pentanoic Acid,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	293.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.363g/mol
Monoisotopic Mass	293.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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