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824952-01-4

824952-01-4 | L-Phenylalanine, L-histidyl-L-arginyl-L-tyrosyl-L-valyl-

CAS No: 824952-01-4 Catalog No: AG00504O MDL No:

Product Description

Catalog Number:
AG00504O
Chemical Name:
L-Phenylalanine, L-histidyl-L-arginyl-L-tyrosyl-L-valyl-
CAS Number:
824952-01-4
Molecular Formula:
C35H48N10O7
Molecular Weight:
720.8184
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C35H48N10O7/c1-20(2)29(33(50)44-28(34(51)52)16-21-7-4-3-5-8-21)45-32(49)27(15-22-10-12-24(46)13-11-22)43-31(48)26(9-6-14-40-35(37)38)42-30(47)25(36)17-23-18-39-19-41-23/h3-5,7-8,10-13,18-20,25-29,46H,6,9,14-17,36H2,1-2H3,(H,39,41)(H,42,47)(H,43,48)(H,44,50)(H,45,49)(H,51,52)(H4,37,38,40)/t25-,26-,27-,28-,29-/m0/s1
InChI Key:
MGICIOTYSRCNEY-ZIUUJSQJSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]cn1)N

Properties

Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
720.371g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
720.832g/mol
Monoisotopic Mass:
720.371g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
293A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  

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