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823233-17-6 | L-Valine, L-prolyl-L-alanyl-L-methionyl-L-tyrosyl-
CAS No: 823233-17-6 Catalog No: AG004YRN MDL No:
Product Description
Catalog Number:
AG004YRN
Chemical Name:
L-Valine, L-prolyl-L-alanyl-L-methionyl-L-tyrosyl-
CAS Number:
823233-17-6
Molecular Formula:
C27H41N5O7S
Molecular Weight:
579.7087
IUPAC Name:
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C27H41N5O7S/c1-15(2)22(27(38)39)32-26(37)21(14-17-7-9-18(33)10-8-17)31-25(36)20(11-13-40-4)30-23(34)16(3)29-24(35)19-6-5-12-28-19/h7-10,15-16,19-22,28,33H,5-6,11-14H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)(H,32,37)(H,38,39)/t16-,19-,20-,21-,22-/m0/s1
InChI Key:
JJQHBQMPLZAVPP-XSXWSVAESA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C
Properties
Complexity:
881
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
579.273g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
579.713g/mol
Monoisotopic Mass:
579.273g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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