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852910-73-7 | L-Threonine, L-lysyl-L-tyrosyl-L-glutaminyl-L-methionyl-
CAS No: 852910-73-7 Catalog No: AG004PMW MDL No:
Product Description
Catalog Number:
AG004PMW
Chemical Name:
L-Threonine, L-lysyl-L-tyrosyl-L-glutaminyl-L-methionyl-
CAS Number:
852910-73-7
Molecular Formula:
C29H47N7O9S
Molecular Weight:
669.7900
IUPAC Name:
(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C29H47N7O9S/c1-16(37)24(29(44)45)36-27(42)21(12-14-46-2)34-26(41)20(10-11-23(32)39)33-28(43)22(15-17-6-8-18(38)9-7-17)35-25(40)19(31)5-3-4-13-30/h6-9,16,19-22,24,37-38H,3-5,10-15,30-31H2,1-2H3,(H2,32,39)(H,33,43)(H,34,41)(H,35,40)(H,36,42)(H,44,45)/t16-,19+,20+,21+,22+,24+/m1/s1
InChI Key:
ZVUXPGDMWQVMMB-MGRYITIBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCSC)CCC(=O)N)Cc1ccc(cc1)O)N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
669.316g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
669.795g/mol
Monoisotopic Mass:
669.316g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
315A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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