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824959-34-4

824959-34-4 | L-Glutamic acid, L-valyl-L-seryl-L-tryptophyl-L-phenylalanyl-L-tyrosyl-

CAS No: 824959-34-4 Catalog No: AG004V5L MDL No:

Product Description

Catalog Number:
AG004V5L
Chemical Name:
L-Glutamic acid, L-valyl-L-seryl-L-tryptophyl-L-phenylalanyl-L-tyrosyl-
CAS Number:
824959-34-4
Molecular Formula:
C42H51N7O11
Molecular Weight:
829.8946
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C42H51N7O11/c1-23(2)36(43)41(58)49-34(22-50)40(57)48-33(20-26-21-44-29-11-7-6-10-28(26)29)39(56)47-31(18-24-8-4-3-5-9-24)38(55)46-32(19-25-12-14-27(51)15-13-25)37(54)45-30(42(59)60)16-17-35(52)53/h3-15,21,23,30-34,36,44,50-51H,16-20,22,43H2,1-2H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,52,53)(H,59,60)/t30-,31-,32-,33-,34-,36-/m0/s1
InChI Key:
NZRSIUHSVINYGD-PITCCTKHSA-N
SMILES:
OC[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)CCC(=O)O)Cc1ccc(cc1)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)N

Properties

Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
829.365g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
829.908g/mol
Monoisotopic Mass:
829.365g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
302A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

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