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88621-71-0 | L-Leucine, N-[N-[N-(1-acetyl-L-prolyl)-L-tyrosyl]-L-isoleucyl]-
CAS No: 88621-71-0 Catalog No: AG004ALH MDL No:
Product Description
Catalog Number:
AG004ALH
Chemical Name:
L-Leucine, N-[N-[N-(1-acetyl-L-prolyl)-L-tyrosyl]-L-isoleucyl]-
CAS Number:
88621-71-0
Molecular Formula:
C28H42N4O7
Molecular Weight:
546.6557
IUPAC Name:
2-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H42N4O7/c1-6-17(4)24(27(37)30-22(28(38)39)14-16(2)3)31-25(35)21(15-19-9-11-20(34)12-10-19)29-26(36)23-8-7-13-32(23)18(5)33/h9-12,16-17,21-24,34H,6-8,13-15H2,1-5H3,(H,29,36)(H,30,37)(H,31,35)(H,38,39)
InChI Key:
DSMOGEBIHUQBOT-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)C)C
Properties
Complexity:
872
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.305g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
546.665g/mol
Monoisotopic Mass:
546.305g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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