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798540-55-3 | L-Serine, L-phenylalanyl-L-prolyl-L-isoleucyl-
CAS No: 798540-55-3 Catalog No: AG005647 MDL No:
Product Description
Catalog Number:
AG005647
Chemical Name:
L-Serine, L-phenylalanyl-L-prolyl-L-isoleucyl-
CAS Number:
798540-55-3
Molecular Formula:
C23H34N4O6
Molecular Weight:
462.5393
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C23H34N4O6/c1-3-14(2)19(21(30)25-17(13-28)23(32)33)26-20(29)18-10-7-11-27(18)22(31)16(24)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-19,28H,3,7,10-13,24H2,1-2H3,(H,25,30)(H,26,29)(H,32,33)/t14-,16-,17-,18-,19-/m0/s1
InChI Key:
CSMOICMEXWVSQZ-GBBGEASQSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
462.248g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
462.547g/mol
Monoisotopic Mass:
462.248g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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