AG002LP7

229639-48-9 | Boc-l-beta-homotryptophan

AG002LP7

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CAS Number	229639-48-9
Catalog Number	AG002LP7(AGN-PC-0QZIR0)
Chemical Name	Boc-l-beta-homotryptophan
IUPAC Name	(3S)-4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19-12(9-15(20)21)8-11-10-18-14-7-5-4-6-13(11)14/h4-7,10,12,18H,8-9H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChI Key	TUZZBYOOQVPWSG-LBPRGKRZSA-N
MDL Number	MFCD01862938
Molecular Formula	C17H22N2O4
Molecular Weight	318.3676
SMILES	CC(C)(OC(=O)N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12)C
Synonyms	229639-48-9, Boc-L-beta-homotryptophan, (S)-3-((tert-Butoxycarbonyl)amino)-4-(1H-indol-3-yl)butanoic acid, Boc-L-beta-HTrp-OH, N-beta-Boc-L-Homotryptophan, (3S)-4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, AK162609, Boc-beta-Homotrp-OH, Boc-??3-HTrp-OH, Boc-??3-Trp-OH, (S)-Boc-??-Trp, Boc-L-beta-Homo-Trp-OH, AC1MC57J, 1H-Indole-3-butanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-, SCHEMBL5467203, CTK8F0656, KS-00000IBO, DTXSID40375825, ZINC2386867, MFCD01862938, AKOS024462373, BL760-1, DS-7833, AC-22097, AX8016749, Boc-beta-Homotrp-OH, >=98.0% (TLC), RT-011764, FT-0644066, V1037, K-6360, C-19565, (3S)-3-(tert-butoxycarbonylamino)-4-(1H-indol-3-yl)butanoic acid, (3S)-3-(tert-butoxycarbonylamino)-4-(1H-indol-3-yl)butyric acid, (S)-3-(tert-butoxycarbonylamino)-4-(1H-indol-3-yl)butanoic acid, (S)-beta-[(tert-Butyloxycarbonyl)amino]-1H-indole-3-butyric acid, (3S)-3-[(tert-butoxycarbonyl)amino]-4-(1H-indol-3-yl)butanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid, (3S)-4-(1H-indol-3-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, C17H22N2O4, ACN-026030, CID2761551, 4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	318.158g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	318.373g/mol
Monoisotopic Mass	318.158g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	91.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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