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123724-58-3 | L-Glutamic acid, N-[4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]benzoyl]-
CAS No: 123724-58-3 Catalog No: AG000L0F MDL No:
Product Description
Catalog Number:
AG000L0F
Chemical Name:
L-Glutamic acid, N-[4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]benzoyl]-
CAS Number:
123724-58-3
Molecular Formula:
C18H26N2O11S2
Molecular Weight:
510.5358
IUPAC Name:
(2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C18H26N2O11S2/c1-32(26,27)30-11-9-20(10-12-31-33(2,28)29)14-5-3-13(4-6-14)17(23)19-15(18(24)25)7-8-16(21)22/h3-6,15H,7-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/m0/s1
InChI Key:
JIFWHEWJVRFYSA-HNNXBMFYSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
510.098g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
510.529g/mol
Monoisotopic Mass:
510.098g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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