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251325-00-5 | L-Serine, L-seryl-L-asparaginyl-L-tyrosyl-L-isoleucyl-
CAS No: 251325-00-5 Catalog No: AG002QKY MDL No:
Product Description
Catalog Number:
AG002QKY
Chemical Name:
L-Serine, L-seryl-L-asparaginyl-L-tyrosyl-L-isoleucyl-
CAS Number:
251325-00-5
Molecular Formula:
C25H38N6O10
Molecular Weight:
582.6034
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C25H38N6O10/c1-3-12(2)20(24(39)30-18(11-33)25(40)41)31-23(38)16(8-13-4-6-14(34)7-5-13)29-22(37)17(9-19(27)35)28-21(36)15(26)10-32/h4-7,12,15-18,20,32-34H,3,8-11,26H2,1-2H3,(H2,27,35)(H,28,36)(H,29,37)(H,30,39)(H,31,38)(H,40,41)/t12-,15-,16-,17-,18-,20-/m0/s1
InChI Key:
YMOFEEDVNACCBW-XZLUIIIWSA-N
SMILES:
OC[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)CO)[C@H](CC)C)Cc1ccc(cc1)O)CC(=O)N)N
Properties
Complexity:
927
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
582.265g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
582.611g/mol
Monoisotopic Mass:
582.265g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
284A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2
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