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72143-06-7 | L-Serinamide, N-acetyl-L-threonyl-L-phenylalanyl-L-threonyl-
CAS No: 72143-06-7 Catalog No: AG005JT8 MDL No:
Product Description
Catalog Number:
AG005JT8
Chemical Name:
L-Serinamide, N-acetyl-L-threonyl-L-phenylalanyl-L-threonyl-
CAS Number:
72143-06-7
Molecular Formula:
C22H33N5O8
Molecular Weight:
495.5261
IUPAC Name:
(2S,3R)-2-acetamido-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-hydroxybutanamide
InChI:
InChI=1S/C22H33N5O8/c1-11(29)17(24-13(3)31)21(34)25-15(9-14-7-5-4-6-8-14)20(33)27-18(12(2)30)22(35)26-16(10-28)19(23)32/h4-8,11-12,15-18,28-30H,9-10H2,1-3H3,(H2,23,32)(H,24,31)(H,25,34)(H,26,35)(H,27,33)/t11-,12-,15+,16+,17+,18+/m1/s1
InChI Key:
KZCUCXUXACWATH-ZKHRPDRESA-N
SMILES:
OC[C@@H](C(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)C)Cc1ccccc1
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
495.233g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
495.533g/mol
Monoisotopic Mass:
495.233g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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