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798541-00-1 | L-Alanine, L-isoleucyl-L-arginyl-L-cysteinyl-
CAS No: 798541-00-1 Catalog No: AG004ZO6 MDL No:
Product Description
Catalog Number:
AG004ZO6
Chemical Name:
L-Alanine, L-isoleucyl-L-arginyl-L-cysteinyl-
CAS Number:
798541-00-1
Molecular Formula:
C18H35N7O5S
Molecular Weight:
461.5794
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H35N7O5S/c1-4-9(2)13(19)16(28)24-11(6-5-7-22-18(20)21)14(26)25-12(8-31)15(27)23-10(3)17(29)30/h9-13,31H,4-8,19H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H4,20,21,22)/t9-,10-,11-,12-,13-/m0/s1
InChI Key:
GHPFMPJNLWXHKL-VLJOUNFMSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CS)CCCNC(=N)N)N)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
461.242g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
461.582g/mol
Monoisotopic Mass:
461.242g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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