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870190-49-1 | L-Leucine, L-phenylalanylglycyl-L-arginyl-L-alanyl-L-lysyl-
CAS No: 870190-49-1 Catalog No: AG004GNN MDL No:
Product Description
Catalog Number:
AG004GNN
Chemical Name:
L-Leucine, L-phenylalanylglycyl-L-arginyl-L-alanyl-L-lysyl-
CAS Number:
870190-49-1
Molecular Formula:
C32H54N10O7
Molecular Weight:
690.8340
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C32H54N10O7/c1-19(2)16-25(31(48)49)42-30(47)24(12-7-8-14-33)41-27(44)20(3)39-29(46)23(13-9-15-37-32(35)36)40-26(43)18-38-28(45)22(34)17-21-10-5-4-6-11-21/h4-6,10-11,19-20,22-25H,7-9,12-18,33-34H2,1-3H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H,42,47)(H,48,49)(H4,35,36,37)/t20-,22-,23-,24-,25-/m0/s1
InChI Key:
CVANWEPVBFPSCX-NPJMLQJUSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)N)CCCNC(=N)N)C
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
690.418g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
690.847g/mol
Monoisotopic Mass:
690.418g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
299A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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