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132733-02-9

132733-02-9 | L-Phenylalanine, N-[N2-[N2-(N2-L-leucyl-L-arginyl)-L-arginyl]-L-glutaminyl]- (9CI)

CAS No: 132733-02-9 Catalog No: AG001125 MDL No:

Product Description

Catalog Number:
AG001125
Chemical Name:
L-Phenylalanine, N-[N2-[N2-(N2-L-leucyl-L-arginyl)-L-arginyl]-L-glutaminyl]- (9CI)
CAS Number:
132733-02-9
Molecular Formula:
C32H54N12O7
Molecular Weight:
718.8474
IUPAC Name:
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C32H54N12O7/c1-18(2)16-20(33)26(46)41-21(10-6-14-39-31(35)36)27(47)42-22(11-7-15-40-32(37)38)28(48)43-23(12-13-25(34)45)29(49)44-24(30(50)51)17-19-8-4-3-5-9-19/h3-5,8-9,18,20-24H,6-7,10-17,33H2,1-2H3,(H2,34,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)(H,50,51)(H4,35,36,39)(H4,37,38,40)/t20-,21-,22-,23-,24-/m0/s1
InChI Key:
NEKOYHRIDQWRQZ-LSBAASHUSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)N)C

Properties

Complexity:
1220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
718.424g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
718.861g/mol
Monoisotopic Mass:
718.424g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
352A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2  

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