200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 824959-12-8

824959-12-8

824959-12-8 | L-Glutamic acid, L-lysylglycyl-L-tryptophyl-L-phenylalanyl-L-phenylalanyl-

CAS No: 824959-12-8 Catalog No: AG004V5Q MDL No:

Product Description

Catalog Number:
AG004V5Q
Chemical Name:
L-Glutamic acid, L-lysylglycyl-L-tryptophyl-L-phenylalanyl-L-phenylalanyl-
CAS Number:
824959-12-8
Molecular Formula:
C42H52N8O9
Molecular Weight:
812.9105
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C42H52N8O9/c43-20-10-9-16-30(44)38(54)46-25-36(51)47-35(23-28-24-45-31-17-8-7-15-29(28)31)41(57)50-34(22-27-13-5-2-6-14-27)40(56)49-33(21-26-11-3-1-4-12-26)39(55)48-32(42(58)59)18-19-37(52)53/h1-8,11-15,17,24,30,32-35,45H,9-10,16,18-23,25,43-44H2,(H,46,54)(H,47,51)(H,48,55)(H,49,56)(H,50,57)(H,52,53)(H,58,59)/t30-,32-,33-,34-,35-/m0/s1
InChI Key:
NNCWFIHEMZYJIF-BLRSMAGHSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N

Properties

Complexity:
1410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
812.386g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
812.925g/mol
Monoisotopic Mass:
812.386g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
288A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  

© 2019 Angene International Limited. All rights Reserved.