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245668-38-6

245668-38-6 | L-Phenylalanine, L-arginyl-L-arginyl-L-tyrosyl-L-prolyl-

CAS No: 245668-38-6 Catalog No: AG002OKS MDL No:

Product Description

Catalog Number:
AG002OKS
Chemical Name:
L-Phenylalanine, L-arginyl-L-arginyl-L-tyrosyl-L-prolyl-
CAS Number:
245668-38-6
Molecular Formula:
C35H51N11O7
Molecular Weight:
737.8489
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C35H51N11O7/c36-24(9-4-16-41-34(37)38)29(48)43-25(10-5-17-42-35(39)40)30(49)44-26(19-22-12-14-23(47)15-13-22)32(51)46-18-6-11-28(46)31(50)45-27(33(52)53)20-21-7-2-1-3-8-21/h1-3,7-8,12-15,24-28,47H,4-6,9-11,16-20,36H2,(H,43,48)(H,44,49)(H,45,50)(H,52,53)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,27-,28-/m0/s1
InChI Key:
NMEVXGRFTWERDL-XLIKFSOKSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccc(cc1)O)NC(=O)[C@H](CCCNC(=N)N)N

Properties

Complexity:
1280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
737.397g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
737.863g/mol
Monoisotopic Mass:
737.397g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
320A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8  

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