200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 173857-06-2

173857-06-2

173857-06-2 | L-Histidine, L-arginyl-L-histidyl-L-arginyl-L-histidyl-L-arginyl- (9CI)

CAS No: 173857-06-2 Catalog No: AG001Z91 MDL No:

Product Description

Catalog Number:
AG001Z91
Chemical Name:
L-Histidine, L-arginyl-L-histidyl-L-arginyl-L-histidyl-L-arginyl- (9CI)
CAS Number:
173857-06-2
Molecular Formula:
C36H59N21O7
Molecular Weight:
897.9902
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C36H59N21O7/c37-22(4-1-7-47-34(38)39)28(58)55-25(10-19-13-44-16-50-19)31(61)53-23(5-2-8-48-35(40)41)29(59)56-26(11-20-14-45-17-51-20)32(62)54-24(6-3-9-49-36(42)43)30(60)57-27(33(63)64)12-21-15-46-18-52-21/h13-18,22-27H,1-12,37H2,(H,44,50)(H,45,51)(H,46,52)(H,53,61)(H,54,62)(H,55,58)(H,56,59)(H,57,60)(H,63,64)(H4,38,39,47)(H4,40,41,48)(H4,42,43,49)/t22-,23-,24-,25-,26-,27-/m0/s1
InChI Key:
QZUHXSWKNFYTJW-QCOJBMJGSA-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)Cc1c[nH]cn1)CCCNC(=N)N)Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)N

Properties

Complexity:
1620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
897.491g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
898.008g/mol
Monoisotopic Mass:
897.491g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
488A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.6  

© 2019 Angene International Limited. All rights Reserved.