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158022-12-9 | L-Methionine, L-cysteinyl-L-valyl-3-(2-naphthalenyl)-L-alanyl-
CAS No: 158022-12-9 Catalog No: AG001PXC MDL No:
Product Description
Catalog Number:
AG001PXC
Chemical Name:
L-Methionine, L-cysteinyl-L-valyl-3-(2-naphthalenyl)-L-alanyl-
CAS Number:
158022-12-9
Molecular Formula:
C26H36N4O5S2
Molecular Weight:
548.7178
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C26H36N4O5S2/c1-15(2)22(30-23(31)19(27)14-36)25(33)29-21(24(32)28-20(26(34)35)10-11-37-3)13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,15,19-22,36H,10-11,13-14,27H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)(H,34,35)/t19-,20-,21-,22-/m0/s1
InChI Key:
HZPSWNVHTKOMLQ-CMOCDZPBSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)N)Cc1ccc2c(c1)cccc2
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
548.213g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
548.717g/mol
Monoisotopic Mass:
548.213g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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