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823233-10-9 | L-Glutamic acid, L-arginyl-L-valyl-L-alanyl-L-prolyl-
CAS No: 823233-10-9 Catalog No: AG005E13 MDL No:
Product Description
Catalog Number:
AG005E13
Chemical Name:
L-Glutamic acid, L-arginyl-L-valyl-L-alanyl-L-prolyl-
CAS Number:
823233-10-9
Molecular Formula:
C24H42N8O8
Molecular Weight:
570.6391
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
InChI:
InChI=1S/C24H42N8O8/c1-12(2)18(31-19(35)14(25)6-4-10-28-24(26)27)21(37)29-13(3)22(38)32-11-5-7-16(32)20(36)30-15(23(39)40)8-9-17(33)34/h12-16,18H,4-11,25H2,1-3H3,(H,29,37)(H,30,36)(H,31,35)(H,33,34)(H,39,40)(H4,26,27,28)/t13-,14-,15-,16-,18-/m0/s1
InChI Key:
HYPUYSXUUCSDLK-DNCCFGNJSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)C)C(C)C)N
Properties
Complexity:
969
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
570.313g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
570.648g/mol
Monoisotopic Mass:
570.313g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2
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