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30743-29-4 | L-Proline, 1-[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodobenzoyl]-
CAS No: 30743-29-4 Catalog No: AG00314C MDL No:
Product Description
Catalog Number:
AG00314C
Chemical Name:
L-Proline, 1-[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodobenzoyl]-
CAS Number:
30743-29-4
Molecular Formula:
C22H28I3N3O5
Molecular Weight:
795.1882
IUPAC Name:
(2S)-1-[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C22H28I3N3O5/c1-5-13(29)26(7-3)19-16(23)15(21(31)28-11-9-10-12(28)22(32)33)17(24)20(18(19)25)27(8-4)14(30)6-2/h12H,5-11H2,1-4H3,(H,32,33)/t12-/m0/s1
InChI Key:
SLAABVFYPXJEOL-LBPRGKRZSA-N
SMILES:
CCN(c1c(I)c(C(=O)N2CCC[C@H]2C(=O)O)c(c(c1I)N(C(=O)CC)CC)I)C(=O)CC
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
794.916g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
795.195g/mol
Monoisotopic Mass:
794.916g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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