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303030-75-3 | L-Leucine, L-leucyl-L-valyl-L-glutaminyl-L-leucyl- (9CI)
CAS No: 303030-75-3 Catalog No: AG002ZKP MDL No:
Product Description
Catalog Number:
AG002ZKP
Chemical Name:
L-Leucine, L-leucyl-L-valyl-L-glutaminyl-L-leucyl- (9CI)
CAS Number:
303030-75-3
Molecular Formula:
C28H52N6O7
Molecular Weight:
584.7485
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H52N6O7/c1-14(2)11-18(29)24(36)34-23(17(7)8)27(39)31-19(9-10-22(30)35)25(37)32-20(12-15(3)4)26(38)33-21(28(40)41)13-16(5)6/h14-21,23H,9-13,29H2,1-8H3,(H2,30,35)(H,31,39)(H,32,37)(H,33,38)(H,34,36)(H,40,41)/t18-,19-,20-,21-,23-/m0/s1
InChI Key:
QAPHSOCPLDJIPF-JSSYZSAGSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
584.39g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
584.759g/mol
Monoisotopic Mass:
584.39g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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