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824406-84-0 | D-Phenylalaninamide, glycyl-L-alanyl-N-[(3-iodophenyl)methyl]-
CAS No: 824406-84-0 Catalog No: AG005A87 MDL No:
Product Description
Catalog Number:
AG005A87
Chemical Name:
D-Phenylalaninamide, glycyl-L-alanyl-N-[(3-iodophenyl)methyl]-
CAS Number:
824406-84-0
Molecular Formula:
C21H25IN4O3
Molecular Weight:
508.3527
IUPAC Name:
(2R)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-N-[(3-iodophenyl)methyl]-3-phenylpropanamide
InChI:
InChI=1S/C21H25IN4O3/c1-14(25-19(27)12-23)20(28)26-18(11-15-6-3-2-4-7-15)21(29)24-13-16-8-5-9-17(22)10-16/h2-10,14,18H,11-13,23H2,1H3,(H,24,29)(H,25,27)(H,26,28)/t14-,18+/m0/s1
InChI Key:
ZIMWUKZHRPWVQT-KBXCAEBGSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)NCc1cccc(c1)I)Cc1ccccc1)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
508.097g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
508.36g/mol
Monoisotopic Mass:
508.097g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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