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205385-37-1 | L-Cysteine, L-lysyl-L-lysyl-L-lysyl-L-arginyl-L-lysyl-L-valyl-
CAS No: 205385-37-1 Catalog No: AG002A2C MDL No:
Product Description
Catalog Number:
AG002A2C
Chemical Name:
L-Cysteine, L-lysyl-L-lysyl-L-lysyl-L-arginyl-L-lysyl-L-valyl-
CAS Number:
205385-37-1
Molecular Formula:
C38H76N14O8S
Molecular Weight:
889.1640
IUPAC Name:
(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C38H76N14O8S/c1-23(2)30(36(58)51-29(22-61)37(59)60)52-35(57)27(15-6-10-20-42)49-34(56)28(16-11-21-46-38(44)45)50-33(55)26(14-5-9-19-41)48-32(54)25(13-4-8-18-40)47-31(53)24(43)12-3-7-17-39/h23-30,61H,3-22,39-43H2,1-2H3,(H,47,53)(H,48,54)(H,49,56)(H,50,55)(H,51,58)(H,52,57)(H,59,60)(H4,44,45,46)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
InChI Key:
MVHJPGJPSUJMTN-FLMSMKGQSA-N
SMILES:
NCCCC[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)CS)C(C)C)CCCCN)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCCN
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
888.569g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
15
Isotope Atom Count:
0
Molecular Weight:
889.176g/mol
Monoisotopic Mass:
888.569g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
407A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
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