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139583-72-5 | L-Histidinamide, N-acetyl-L-valyl-L-prolyl-D-seryl- (9CI)
CAS No: 139583-72-5 Catalog No: AG001BBL MDL No:
Product Description
Catalog Number:
AG001BBL
Chemical Name:
L-Histidinamide, N-acetyl-L-valyl-L-prolyl-D-seryl- (9CI)
CAS Number:
139583-72-5
Molecular Formula:
C21H33N7O6
Molecular Weight:
479.5300
IUPAC Name:
1-(2-acetamido-3-methylbutanoyl)-N-[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C21H33N7O6/c1-11(2)17(25-12(3)30)21(34)28-6-4-5-16(28)20(33)27-15(9-29)19(32)26-14(18(22)31)7-13-8-23-10-24-13/h8,10-11,14-17,29H,4-7,9H2,1-3H3,(H2,22,31)(H,23,24)(H,25,30)(H,26,32)(H,27,33)
InChI Key:
MJYVEKNFWHZBSL-UHFFFAOYSA-N
SMILES:
OC[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)C
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.249g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
479.538g/mol
Monoisotopic Mass:
479.249g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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