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179899-85-5 | L-Arginine, L-prolyl-L-leucylglycyl-L-prolyl-
CAS No: 179899-85-5 Catalog No: AG0027CB MDL No:
Product Description
Catalog Number:
AG0027CB
Chemical Name:
L-Arginine, L-prolyl-L-leucylglycyl-L-prolyl-
CAS Number:
179899-85-5
Molecular Formula:
C24H42N8O6
Molecular Weight:
538.6403
IUPAC Name:
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
InChI:
InChI=1S/C24H42N8O6/c1-14(2)12-17(31-21(35)15-6-3-9-27-15)20(34)29-13-19(33)32-11-5-8-18(32)22(36)30-16(23(37)38)7-4-10-28-24(25)26/h14-18,27H,3-13H2,1-2H3,(H,29,34)(H,30,36)(H,31,35)(H,37,38)(H4,25,26,28)/t15-,16-,17-,18-/m0/s1
InChI Key:
NITFDVKSIMCHLP-XSLAGTTESA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C
Properties
Complexity:
891
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
538.323g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
538.65g/mol
Monoisotopic Mass:
538.323g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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