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823233-36-9 | L-Threonine, glycyl-L-glutaminyl-L-valyl-L-isoleucyl-
CAS No: 823233-36-9 Catalog No: AG004YRK MDL No:
Product Description
Catalog Number:
AG004YRK
Chemical Name:
L-Threonine, glycyl-L-glutaminyl-L-valyl-L-isoleucyl-
CAS Number:
823233-36-9
Molecular Formula:
C22H40N6O8
Molecular Weight:
516.5884
IUPAC Name:
(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C22H40N6O8/c1-6-11(4)17(21(34)28-18(12(5)29)22(35)36)27-20(33)16(10(2)3)26-19(32)13(7-8-14(24)30)25-15(31)9-23/h10-13,16-18,29H,6-9,23H2,1-5H3,(H2,24,30)(H,25,31)(H,26,32)(H,27,33)(H,28,34)(H,35,36)/t11-,12+,13-,16-,17-,18-/m0/s1
InChI Key:
VODBDZJOCGTPGB-QNXNBDFTSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](CC)C)C(C)C)CCC(=O)N
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
516.291g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
516.596g/mol
Monoisotopic Mass:
516.291g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
243A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
Literature
| Title | Journal |
|---|---|
| Actin cleavage by CPP-32/apopain during the development of apoptosis. | Oncogene 19970306 |
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