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817627-95-5

817627-95-5 | L-Arginine, L-phenylalanyl-L-serylglycyl-L-cysteinyl-L-histidyl-

CAS No: 817627-95-5 Catalog No: AG0056YQ MDL No:

Product Description

Catalog Number:
AG0056YQ
Chemical Name:
L-Arginine, L-phenylalanyl-L-serylglycyl-L-cysteinyl-L-histidyl-
CAS Number:
817627-95-5
Molecular Formula:
C29H43N11O8S
Molecular Weight:
705.7856
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C29H43N11O8S/c30-18(9-16-5-2-1-3-6-16)24(43)40-21(13-41)25(44)35-12-23(42)37-22(14-49)27(46)39-20(10-17-11-33-15-36-17)26(45)38-19(28(47)48)7-4-8-34-29(31)32/h1-3,5-6,11,15,18-22,41,49H,4,7-10,12-14,30H2,(H,33,36)(H,35,44)(H,37,42)(H,38,45)(H,39,46)(H,40,43)(H,47,48)(H4,31,32,34)/t18-,19-,20-,21-,22-/m0/s1
InChI Key:
XKTYHAMSNQEEFY-YFNVTMOMSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CO

Properties

Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
705.302g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
705.792g/mol
Monoisotopic Mass:
705.302g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
323A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6  

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