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81543-17-1 | L-Prolinamide, N-acetyl-L-tyrosyl-L-phenylalanyl-
CAS No: 81543-17-1 Catalog No: AG005K78 MDL No:
Product Description
Catalog Number:
AG005K78
Chemical Name:
L-Prolinamide, N-acetyl-L-tyrosyl-L-phenylalanyl-
CAS Number:
81543-17-1
Molecular Formula:
C25H30N4O5
Molecular Weight:
466.5295
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C25H30N4O5/c1-16(30)27-20(14-18-9-11-19(31)12-10-18)24(33)28-21(15-17-6-3-2-4-7-17)25(34)29-13-5-8-22(29)23(26)32/h2-4,6-7,9-12,20-22,31H,5,8,13-15H2,1H3,(H2,26,32)(H,27,30)(H,28,33)/t20-,21-,22-/m0/s1
InChI Key:
IALITLXBPYGBJS-FKBYEOEOSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1ccccc1)Cc1ccc(cc1)O
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
466.222g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
466.538g/mol
Monoisotopic Mass:
466.222g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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