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878557-57-4 | L-Aspartic acid, L-seryl-L-phenylalanyl-L-phenylalanyl-
CAS No: 878557-57-4 Catalog No: AG004GWW MDL No:
Product Description
Catalog Number:
AG004GWW
Chemical Name:
L-Aspartic acid, L-seryl-L-phenylalanyl-L-phenylalanyl-
CAS Number:
878557-57-4
Molecular Formula:
C25H30N4O8
Molecular Weight:
514.5277
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
InChI:
InChI=1S/C25H30N4O8/c26-17(14-30)22(33)27-18(11-15-7-3-1-4-8-15)23(34)28-19(12-16-9-5-2-6-10-16)24(35)29-20(25(36)37)13-21(31)32/h1-10,17-20,30H,11-14,26H2,(H,27,33)(H,28,34)(H,29,35)(H,31,32)(H,36,37)/t17-,18-,19-,20-/m0/s1
InChI Key:
MUPVNAAGCSYKOG-MUGJNUQGSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)Cc1ccccc1)Cc1ccccc1)N
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
514.206g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
514.535g/mol
Monoisotopic Mass:
514.206g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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