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69612-72-2 | Glycine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl]-D-methionyl]-
CAS No: 69612-72-2 Catalog No: AG005JZ0 MDL No:
Product Description
Catalog Number:
AG005JZ0
Chemical Name:
Glycine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl]-D-methionyl]-
CAS Number:
69612-72-2
Molecular Formula:
C21H31N3O7S
Molecular Weight:
469.5517
IUPAC Name:
2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid
InChI:
InChI=1S/C21H31N3O7S/c1-21(2,3)31-20(30)24-16(11-13-5-7-14(25)8-6-13)19(29)23-15(9-10-32-4)18(28)22-12-17(26)27/h5-8,15-16,25H,9-12H2,1-4H3,(H,22,28)(H,23,29)(H,24,30)(H,26,27)/t15-,16+/m1/s1
InChI Key:
DIMZBANHWJFXDX-CVEARBPZSA-N
SMILES:
CSCC[C@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
469.188g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
469.553g/mol
Monoisotopic Mass:
469.188g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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