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819802-80-7 | Glycine, glycyl-L-valyl-L-seryl-L-threonyl-
CAS No: 819802-80-7 Catalog No: AG004ZT6 MDL No:
Product Description
Catalog Number:
AG004ZT6
Chemical Name:
Glycine, glycyl-L-valyl-L-seryl-L-threonyl-
CAS Number:
819802-80-7
Molecular Formula:
C16H29N5O8
Molecular Weight:
419.4302
IUPAC Name:
2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
InChI:
InChI=1S/C16H29N5O8/c1-7(2)12(20-10(24)4-17)16(29)19-9(6-22)14(27)21-13(8(3)23)15(28)18-5-11(25)26/h7-9,12-13,22-23H,4-6,17H2,1-3H3,(H,18,28)(H,19,29)(H,20,24)(H,21,27)(H,25,26)/t8-,9+,12+,13+/m1/s1
InChI Key:
CRLZSQQROYVTFX-PSJXJDHFSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)CN
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
419.202g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
419.435g/mol
Monoisotopic Mass:
419.202g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5
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