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836613-33-3 | L-Phenylalanine, L-isoleucyl-L-tyrosylglycyl-
CAS No: 836613-33-3 Catalog No: AG0056V0 MDL No:
Product Description
Catalog Number:
AG0056V0
Chemical Name:
L-Phenylalanine, L-isoleucyl-L-tyrosylglycyl-
CAS Number:
836613-33-3
Molecular Formula:
C26H34N4O6
Molecular Weight:
498.5714
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C26H34N4O6/c1-3-16(2)23(27)25(34)30-20(13-18-9-11-19(31)12-10-18)24(33)28-15-22(32)29-21(26(35)36)14-17-7-5-4-6-8-17/h4-12,16,20-21,23,31H,3,13-15,27H2,1-2H3,(H,28,33)(H,29,32)(H,30,34)(H,35,36)/t16-,20-,21-,23-/m0/s1
InChI Key:
LJLIXDNHAOGZGY-IWZNJAMVSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccc(cc1)O)N)C
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
498.248g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
498.58g/mol
Monoisotopic Mass:
498.248g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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