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72273-95-1 | L-Threonine, L-tyrosyl-L-leucyl-L-prolyl-
CAS No: 72273-95-1 Catalog No: AG005IG3 MDL No:
Product Description
Catalog Number:
AG005IG3
Chemical Name:
L-Threonine, L-tyrosyl-L-leucyl-L-prolyl-
CAS Number:
72273-95-1
Molecular Formula:
C24H36N4O7
Molecular Weight:
492.5652
IUPAC Name:
(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C24H36N4O7/c1-13(2)11-18(26-21(31)17(25)12-15-6-8-16(30)9-7-15)23(33)28-10-4-5-19(28)22(32)27-20(14(3)29)24(34)35/h6-9,13-14,17-20,29-30H,4-5,10-12,25H2,1-3H3,(H,26,31)(H,27,32)(H,34,35)/t14-,17+,18+,19+,20+/m1/s1
InChI Key:
IMHPFSIBZYEWSY-SSRYDLFMSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
492.258g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
492.573g/mol
Monoisotopic Mass:
492.258g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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