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115382-32-6 | L-Methionine, N-[N-(N-L-arginyl-L-isoleucyl)-L-phenylalanyl]- (9CI)
CAS No: 115382-32-6 Catalog No: AG000GNV MDL No:
Product Description
Catalog Number:
AG000GNV
Chemical Name:
L-Methionine, N-[N-(N-L-arginyl-L-isoleucyl)-L-phenylalanyl]- (9CI)
CAS Number:
115382-32-6
Molecular Formula:
C26H43N7O5S
Molecular Weight:
565.7285
IUPAC Name:
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C26H43N7O5S/c1-4-16(2)21(33-22(34)18(27)11-8-13-30-26(28)29)24(36)32-20(15-17-9-6-5-7-10-17)23(35)31-19(25(37)38)12-14-39-3/h5-7,9-10,16,18-21H,4,8,11-15,27H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)(H,37,38)(H4,28,29,30)
InChI Key:
LNDXMZNSPAJNPM-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CCCNC(=N)N)N
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.305g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
565.734g/mol
Monoisotopic Mass:
565.305g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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