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177718-56-8 | L-Glutamic acid, L-leucyl-L-prolyl-L-seryl-L-threonylglycyl- (9CI)
CAS No: 177718-56-8 Catalog No: AG0025HK MDL No:
Product Description
Catalog Number:
AG0025HK
Chemical Name:
L-Glutamic acid, L-leucyl-L-prolyl-L-seryl-L-threonylglycyl- (9CI)
CAS Number:
177718-56-8
Molecular Formula:
C25H42N6O11
Molecular Weight:
602.6346
IUPAC Name:
(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanedioic acid
InChI:
InChI=1S/C25H42N6O11/c1-12(2)9-14(26)24(40)31-8-4-5-17(31)22(38)29-16(11-32)21(37)30-20(13(3)33)23(39)27-10-18(34)28-15(25(41)42)6-7-19(35)36/h12-17,20,32-33H,4-11,26H2,1-3H3,(H,27,39)(H,28,34)(H,29,38)(H,30,37)(H,35,36)(H,41,42)/t13-,14+,15+,16+,17+,20+/m1/s1
InChI Key:
HGGZTSWDTTYLQZ-VRCAPQLRSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
602.291g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
602.642g/mol
Monoisotopic Mass:
602.291g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
278A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.7
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