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798540-31-5 | Glycine, L-seryl-L-alanyl-L-threonyl-
CAS No: 798540-31-5 Catalog No: AG004ZOL MDL No:
Product Description
Catalog Number:
AG004ZOL
Chemical Name:
Glycine, L-seryl-L-alanyl-L-threonyl-
CAS Number:
798540-31-5
Molecular Formula:
C12H22N4O7
Molecular Weight:
334.3257
IUPAC Name:
2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
InChI:
InChI=1S/C12H22N4O7/c1-5(15-11(22)7(13)4-17)10(21)16-9(6(2)18)12(23)14-3-8(19)20/h5-7,9,17-18H,3-4,13H2,1-2H3,(H,14,23)(H,15,22)(H,16,21)(H,19,20)/t5-,6+,7-,9-/m0/s1
InChI Key:
ZKTDZDDTZNWAOA-XQXXSGGOSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@H](O)C)C)N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
334.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
334.329g/mol
Monoisotopic Mass:
334.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
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