AG00BYZB

353245-98-4 | Fmoc-l-beta-homotryptophan

AG00BYZB

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CAS Number	353245-98-4
Catalog Number	AG00BYZB(AGN-PC-0RARG2)
Chemical Name	Fmoc-l-beta-homotryptophan
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)butanoic acid
InChI	InChI=1S/C27H24N2O4/c30-26(31)14-18(13-17-15-28-25-12-6-5-7-19(17)25)29-27(32)33-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,15,18,24,28H,13-14,16H2,(H,29,32)(H,30,31)/t18-/m0/s1
InChI Key	SXHPYIHTNVXINO-SFHVURJKSA-N
MDL Number	MFCD01863056
Molecular Formula	C27H24N2O4
Molecular Weight	440.4905
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CNC5=C4C=CC=C5
Synonyms	Fmoc-L-beta-homotryptophan, 353245-98-4, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(1H-indol-3-yl)butanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)butanoic acid, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid, AK162619, Fmoc-beta-Homotrp-OH, Fmoc-L-|A-Homo-Trp-OH, AC1MC57M, SCHEMBL119237, CTK7G2313, KS-00000GB0, ZINC2386927, MFCD01863056, AKOS015948889, DS-7883, FL765-1, RTR-062334, AC-22098, ACM353245984, AX8131275, TR-062334, CS-0062195, Fmoc-beta-Homotrp-OH, >=96.0% (HPLC), FT-0774463, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)butyric acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(1H-indol-3-yl)butanoic acid, (S)-3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-(1H-INDOL-3-YL)-BUTYRIC ACID, ACN-026031, CID2761552, 1H-Indole-3-butanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)butanoic Acid,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	440.174g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	440.499g/mol
Monoisotopic Mass	440.174g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	91.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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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