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78832-65-2 | L-Alanine,N-[3-(2-furanyl)-1-oxo-2-propen-1-yl]-L-leucylglycyl-L-prolyl-
CAS No: 78832-65-2 Catalog No: AG005DFG MDL No:
Product Description
Catalog Number:
AG005DFG
Chemical Name:
L-Alanine,N-[3-(2-furanyl)-1-oxo-2-propen-1-yl]-L-leucylglycyl-L-prolyl-
CAS Number:
78832-65-2
Molecular Formula:
C23H32N4O7
Molecular Weight:
476.5228
IUPAC Name:
(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C23H32N4O7/c1-14(2)12-17(26-19(28)9-8-16-6-5-11-34-16)21(30)24-13-20(29)27-10-4-7-18(27)22(31)25-15(3)23(32)33/h5-6,8-9,11,14-15,17-18H,4,7,10,12-13H2,1-3H3,(H,24,30)(H,25,31)(H,26,28)(H,32,33)/b9-8+/t15-,17-,18-/m0/s1
InChI Key:
ZLFQNOJSYZSINX-PVJKAEHXSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)NC(=O)C=Cc1ccco1)C
EC Number:
616-657-7
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
476.227g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
476.53g/mol
Monoisotopic Mass:
476.227g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Cell-associated collagenolytic activity by Candida albicans. | Mycopathologia 20020101 |
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