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286018-51-7 | L-Leucine, L-asparaginyl-L-isoleucyl-L-seryl- (9CI)
CAS No: 286018-51-7 Catalog No: AG002VU4 MDL No:
Product Description
Catalog Number:
AG002VU4
Chemical Name:
L-Leucine, L-asparaginyl-L-isoleucyl-L-seryl- (9CI)
CAS Number:
286018-51-7
Molecular Formula:
C19H35N5O7
Molecular Weight:
445.5105
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C19H35N5O7/c1-5-10(4)15(24-16(27)11(20)7-14(21)26)18(29)23-13(8-25)17(28)22-12(19(30)31)6-9(2)3/h9-13,15,25H,5-8,20H2,1-4H3,(H2,21,26)(H,22,28)(H,23,29)(H,24,27)(H,30,31)/t10-,11-,12-,13-,15-/m0/s1
InChI Key:
IDSPMTKTCJLMTL-CXOVXGEYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CC(=O)N)N
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
445.254g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
445.517g/mol
Monoisotopic Mass:
445.254g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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