AG000XHT

127862-89-9 | Benzenebutanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-

AG000XHT

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CAS Number	127862-89-9
Catalog Number	AG000XHT(AGN-PC-0PINK2)
Chemical Name	Benzenebutanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
InChI Key	GUWSQYJXSRIJCI-INIZCTEOSA-N
MDL Number	MFCD00038796
Molecular Formula	C18H19NO4
Molecular Weight	313.3478
SMILES	O=C(O)[C@@H](NC(OCC1=CC=CC=C1)=O)CCC2=CC=CC=C2
Synonyms	127862-89-9, Z-Homophe-OH, Cbz-L-homophenyl-Ala, (S)-2-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid, Z-L-homophenylalanine, (S)-2-(Z-amino)-4-phenylbutyric acid, (S)-2-(Z-amino)-4-phenyl-butyric acid, Cbz-L-Homophe, AK-83360, Cbz-Hph-OH, Cbz-L-homoPhenylalanine, SCHEMBL2487005, BDBM36225, CTK8B7736, DTXSID90426679, GUWSQYJXSRIJCI-INIZCTEOSA-N, KS-00000IH9, ZINC2391140, 5378AA, ANW-58319, MFCD00038796, AM83539, Z-Homophe-OH, >=98.0% (TLC), (N-carbobenzyloxy)-(L)-homophenylalanine, AJ-35727, BBV-53077952, DS-17118, AX8016891, RT-016314, FT-0643074, ST51037505, K-3982, 862C899, C-24121, J-005550, (S)-2-(benzyloxycarbonylamino)-4-phenylbutanoic acid, I14-42599, (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid, (2S)-4-phenyl-2-[(phenylmethoxy)carbonylamino]butanoic acid, Benzenebutanoic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, (alphaS)-, C18H19NO4, Cbz-HomoPhe-OH, 99% - 5G 5g, CB12060, CID7010616, 4-phenyl-2-phenylmethoxycarbonylamino-butanoic Acid, (2S)-2-{[(benzyloxy)carbonyl]amino}-4-phenylbutanoic acid,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	313.131g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.353g/mol
Monoisotopic Mass	313.131g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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