AG0034YC

193954-28-8 | (S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-phenylbutanoic acid

AG0034YC

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CAS Number	193954-28-8
Catalog Number	AG0034YC(AGN-PC-0QMH5J)
Chemical Name	(S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-phenylbutanoic acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
InChI	InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
InChI Key	DQNUGHJJKNFCND-SFHVURJKSA-N
MDL Number	MFCD18072561
Molecular Formula	C25H23NO4
Molecular Weight	401.4544
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](CC(=O)O)CC1=CC=CC=C1
Synonyms	193954-28-8, Fmoc-L-beta-homophenylalanine, Fmoc-B-HoPhe-OH, Fmoc-beta-Hophe-OH, Fmoc-beta-Homophe-OH, MFCD01863055, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenyl-butanoic acid, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid, (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutanoic acid, (S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-phenylbutanoic acid, Fmoc-(S)-3-Amino-4-phenylbutyric acid, AK-89158, (S)-3-(Fmoc-amino)-4-phenylbutyric acid, Fmoc-|A-HoPhe-OH, AC1MC56J, SCHEMBL119394, N-Fmoc-L-beta-homophenylalanine, DTXSID00375821, ZINC2386925, CF-331, CS-W009722, EBD2199135, FL735-1, AC-22087, ACM193954288, AJ-35404, AN-30195, DS-18586, Q528, SC-99165, AB0017645, AX8019129, Fmoc-beta-Homophe-OH, >=95.0% (HPLC), FT-0652229, ST24047277, 954F288, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenyl-butyric acid, (S)-beta-(9H-Fluorene-9-ylmethoxycarbonylamino)benzenebutyric acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-phenylbutanoic acid, (s)-3-(((9h-fluoren-9-yl)methoxy)carbonylamino)-4-phenylbutanoic acid, C25H23NO4, Fmoc-beta-HoPhe-OH - 1G 1g, ACN-026025, CB11857, CID2761539, A7570, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenyl-butanoic Acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutyric acid;, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-, Benzenebutanoic acid, ss-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (ssS)-,

Complexity	566
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	401.163g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	401.462g/mol
Monoisotopic Mass	401.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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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