AG001Q2S

158257-40-0 | Heptanoic acid, 4-​[[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​amino]​-​3-​hydroxy-​6-​methyl-​, (3S,​4S)​-

AG001Q2S

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CAS Number	158257-40-0
Catalog Number	AG001Q2S(AGN-PC-0Q7G0F)
Chemical Name	Heptanoic acid, 4-​[[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​amino]​-​3-​hydroxy-​6-​methyl-​, (3S,​4S)​-
IUPAC Name	(3S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylheptanoic acid
InChI	InChI=1S/C23H27NO5/c1-14(2)11-20(21(25)12-22(26)27)24-23(28)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3,(H,24,28)(H,26,27)/t20-,21-/m0/s1
InChI Key	JGUYYODGVQXZAY-SFTDATJTSA-N
MDL Number	MFCD00065675
Molecular Formula	C23H27NO5
Molecular Weight	397.4642
SMILES	C(OC(=O)N[C@H]([C@H](CC(=O)O)O)CC(C)C)C1c2c(c3c1cccc3)cccc2
Synonyms	158257-40-0, Fmoc-L-Statine, Fmoc-STA-OH, (3S,4S)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-6-methylheptanoic acid, fmoc-(3s,4s)sta-oh, N-FMOC-L-Statine, Fmoc-L-Aspartimol(OtBu), (3S.4S)-4-(Fmoc-amino)-3-hydroxy-6-methylheptanoic acid, AK-49438, AC1MBSUF, fmoc-sta-oh, AldrichCPR, SCHEMBL800110, CTK8E7191, DTXSID80373249, (3S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylheptanoic acid, KS-00000KD8, ZINC2539232, MFCD00065675, AKOS016007761, CS-W018853, RTR-004562, AJ-38826, DS-15041, SC-48663, AX8032110, ST2414294, TR-004562, TX-017614, FT-0643542, M-9604, C-25131, (3S,4S)-4-Fmoc-amino-3-hydroxy-6-methyl-heptanoic acid, (3S,4S)-3-Hydroxy-4-(9H-fluorene-9-ylmethoxycarbonylamino)-6-methylheptanoic acid, (3S,4S)-4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-hydroxy-6-methylheptanoic acid, (3S,4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxy-6-methylheptanoic acid, Heptanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxy-6-methyl-, (3S,4S)-, ACN-027233, CID2756121, Fmoc-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid, 133565-45-4, 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methyl-heptanoic Acid, Fmoc-Sta-OH; Fmoc-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	397.189g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	397.471g/mol
Monoisotopic Mass	397.189g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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