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189308-30-3 | Glycine, L-glutaminyl-L-arginylglycyl-L-isoleucyl-L-valyl- (9CI)
CAS No: 189308-30-3 Catalog No: AG002I86 MDL No:
Product Description
Catalog Number:
AG002I86
Chemical Name:
Glycine, L-glutaminyl-L-arginylglycyl-L-isoleucyl-L-valyl- (9CI)
CAS Number:
189308-30-3
Molecular Formula:
C26H48N10O8
Molecular Weight:
628.7215
IUPAC Name:
2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetic acid
InChI:
InChI=1S/C26H48N10O8/c1-5-14(4)21(25(44)36-20(13(2)3)24(43)33-12-19(39)40)35-18(38)11-32-23(42)16(7-6-10-31-26(29)30)34-22(41)15(27)8-9-17(28)37/h13-16,20-21H,5-12,27H2,1-4H3,(H2,28,37)(H,32,42)(H,33,43)(H,34,41)(H,35,38)(H,36,44)(H,39,40)(H4,29,30,31)/t14-,15-,16-,20-,21-/m0/s1
InChI Key:
HKQUFNGCRVNQOW-XUHKJIGQSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCNC(=N)N)C
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
628.366g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
628.732g/mol
Monoisotopic Mass:
628.366g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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