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88182-32-5 | Glycinamide, 3,5-dibromo-L-tyrosyl-D-alanyl-N-(1,3-dimethylbutyl)-
CAS No: 88182-32-5 Catalog No: AG004CME MDL No:
Product Description
Catalog Number:
AG004CME
Chemical Name:
Glycinamide, 3,5-dibromo-L-tyrosyl-D-alanyl-N-(1,3-dimethylbutyl)-
CAS Number:
88182-32-5
Molecular Formula:
C20H30Br2N4O4
Molecular Weight:
550.2846
IUPAC Name:
(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
InChI:
InChI=1S/C20H30Br2N4O4/c1-10(2)5-11(3)25-17(27)9-24-19(29)12(4)26-20(30)16(23)8-13-6-14(21)18(28)15(22)7-13/h6-7,10-12,16,28H,5,8-9,23H2,1-4H3,(H,24,29)(H,25,27)(H,26,30)/t11?,12-,16+/m1/s1
InChI Key:
QDOLXRHLTIUEJZ-KMQIDDJNSA-N
SMILES:
C[C@H](C(=O)NCC(=O)NC(CC(C)C)C)NC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)O)N
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
550.061g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
550.292g/mol
Monoisotopic Mass:
548.063g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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