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832743-63-2 | L-Valine, L-tyrosyl-L-prolyl-L-arginyl-
CAS No: 832743-63-2 Catalog No: AG004T33 MDL No:
Product Description
Catalog Number:
AG004T33
Chemical Name:
L-Valine, L-tyrosyl-L-prolyl-L-arginyl-
CAS Number:
832743-63-2
Molecular Formula:
C25H39N7O6
Molecular Weight:
533.6205
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C25H39N7O6/c1-14(2)20(24(37)38)31-21(34)18(5-3-11-29-25(27)28)30-22(35)19-6-4-12-32(19)23(36)17(26)13-15-7-9-16(33)10-8-15/h7-10,14,17-20,33H,3-6,11-13,26H2,1-2H3,(H,30,35)(H,31,34)(H,37,38)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1
InChI Key:
JPHQGSUWRBZOSA-MUGJNUQGSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
855
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
533.296g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
533.63g/mol
Monoisotopic Mass:
533.296g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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