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791084-66-7 | L-Cysteine, L-arginyl-L-valyl-L-valylglycylglycyl-
CAS No: 791084-66-7 Catalog No: AG0053IK MDL No:
Product Description
Catalog Number:
AG0053IK
Chemical Name:
L-Cysteine, L-arginyl-L-valyl-L-valylglycylglycyl-
CAS Number:
791084-66-7
Molecular Formula:
C23H43N9O7S
Molecular Weight:
589.7086
IUPAC Name:
(2R)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C23H43N9O7S/c1-11(2)17(20(36)29-8-15(33)28-9-16(34)30-14(10-40)22(38)39)32-21(37)18(12(3)4)31-19(35)13(24)6-5-7-27-23(25)26/h11-14,17-18,40H,5-10,24H2,1-4H3,(H,28,33)(H,29,36)(H,30,34)(H,31,35)(H,32,37)(H,38,39)(H4,25,26,27)/t13-,14-,17-,18-/m0/s1
InChI Key:
DMIPSDCINCJXPY-USJZOSNVSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N
Properties
Complexity:
926
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
589.301g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
589.713g/mol
Monoisotopic Mass:
589.301g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
274A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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