AG000VR1

13122-91-3 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-

AG000VR1

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CAS Number	13122-91-3
Catalog Number	AG000VR1(AGN-PC-0O0ZP7)
Chemical Name	L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
EC Number	236-051-2
IUPAC Name	(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI	InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1
InChI Key	JNRHNGGTJOBXHL-GOTSBHOMSA-N
MDL Number	MFCD00191139
Molecular Formula	C26H26N2O5
Molecular Weight	446.4950
SMILES	O=C(O)[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3
UNII	Q3HUG35MZD
Synonyms	13122-91-3, Z-Phe-Phe-OH, N-Carbobenzoxy-L-phenylalanyl-L-phenylalanine, UNII-Q3HUG35MZD, Q3HUG35MZD, CHEMBL36801, JNRHNGGTJOBXHL-GOTSBHOMSA-N, 3-Phenyl-N-(3-phenyl-N-((phenylmethoxy)carbonyl)-L-alanyl)-L-alanine, (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid, AK-57576, EINECS 236-051-2, Z-Phe-Phe-H, AC1L3FPE, AC1Q5QPF, MLS001243463, n-[(benzyloxy)carbonyl]-l-phenylalanyl-l-phenylalanine, SCHEMBL7319412, CTK4B7163, DTXSID10156961, HMS2211G08, N-(Benzyloxycarbonyl)-Phe-Phe-OH, ZINC5608787, 7539AH, BDBM50284780, MFCD00191139, N-Cbz-L-phenylalanyl-L-phenylalanine, AKOS022180828, KS-0000156E, NCGC00247399-01, AJ-54410, SMR000841578, K-4094, N-benzyloxycarbonyl-L-phenylalanyl-L-phenyl-alanine, N-(benzyloxycarbonyl)-l-phenylala-nyl-l-phenylalanine, L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-, L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-, L-Phenylalanine, N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-, N-(2-([(Benzyloxy)carbonyl]amino)-3-phenylpropanoyl)phenylalanine #, (S)-2-((S)-2-(benzyloxycarbonylamino)-3-phenylpropanamido)-3-phenylpropanoic acid, C26H26N2O5, AR-1K3286, c1170, CID114619, NSC524827, C26-H26-N2-O5, (S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)-3-phenylpropanoic acid, 3-phenyl-N-[3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alanyl]-L-alanine, 1753-62-4,

Complexity	622
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	446.184g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	446.503g/mol
Monoisotopic Mass	446.184g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

Lot Number