AG00IAMZ

59969-65-2 | Benzenebutanoic acid, a-hydroxy-b-[[(phenylmethoxy)carbonyl]amino]-,(aS,bR)-

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CAS Number	59969-65-2
Catalog Number	AG00IAMZ(AGN-PC-0SU673)
Chemical Name	Benzenebutanoic acid, a-hydroxy-b-[[(phenylmethoxy)carbonyl]amino]-,(aS,bR)-
IUPAC Name	(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1
InChI Key	JXJYTERRLRAUSF-CVEARBPZSA-N
MDL Number	MFCD23701663
Molecular Formula	C18H19NO5
Molecular Weight	329.3472
SMILES	O=C(O)[C@@H](O)[C@H](NC(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2
Synonyms	59969-65-2, (2S,3R)-3-(((Benzyloxy)carbonyl)amino)-2-hydroxy-4-phenylbutanoic acid, 76498-22-1, (2S,3R)-3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid, (aR,bS)-rel-alpha-Hydroxy-beta-[[(phenylmethoxy)carbonyl]amino]benzenebutanoic acid, SCHEMBL7430937, Z-(2S,3R)-AHPA, (2S,3R)-3-(((Benzyloxy)carbonyl)amino)-2-hydroxy-4-phenylbutanoic acid(relative), KS-00000R1R, 8944AB, MFCD23701663, ZINC13354097, AKOS016010602, AC-6925, AN-9537, DS-5700, AJ-63713, AM807952, AX8245071, (2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-4-phenyl-butanoic acid, Benzenebutanoic acid, a-hydroxy-b-[[(phenylmethoxy)carbonyl]amino]-,(aS,bR)-, Z-AHPA, C18H19NO5, ACN-031811, ACN-037956, CID11067450, (2s,3r)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbut, 2-hydroxy-4-phenyl-3-phenylmethoxycarbonylamino-butanoic Acid, (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid, (2R,3S)-3-(((benzyloxy)carbonyl)aMino)-2-hydroxy-4-phenylbutanoic acid, (2S,3R)-3-(((benzyloxy)carbonyl) amino)-2-hydroxy-4-phenylbutanoic acid,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	329.126g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	329.352g/mol
Monoisotopic Mass	329.126g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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