(2R)-2-{[(3R,4R,5R)-3-{[(4-acetylphenyl)carbamoyl]amino}-4,5-dihydroxycyclohex-1-en-1-yl]formamido}-4-methylpentanamide
AlkaPlorer ID: AK263085
Synonym: None
IUPAC Name: (3R,4R,5R)-3-[(4-acetylphenyl)carbamoylamino]-N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4,5-dihydroxycyclohexene-1-carboxamide
Structure
SMILES: CC(=O)C1=CC=C(NC(=O)N[C@@H]2C=C(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]2O)C=C1
InChI: InChI=1S/C22H30N4O6/c1-11(2)8-17(20(23)30)25-21(31)14-9-16(19(29)18(28)10-14)26-22(32)24-15-6-4-13(5-7-15)12(3)27/h4-7,9,11,16-19,28-29H,8,10H2,1-3H3,(H2,23,30)(H,25,31)(H2,24,26,32)/t16-,17-,18-,19-/m1/s1
InChIKey: QFJIBJJUERMNCQ-NCXUSEDFSA-N
Source
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Properties Information
Molecule Weight: 446.50400000000025
TPSA？: 170.85
MolLogP？: 0.4474000000000007
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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