Milnamide A
AlkaPlorer ID: AK306715
Synonym: None
IUPAC Name: (E)-4-[[3,3-dimethyl-2-[(2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl)amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Structure
SMILES: C/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1N(C)CC2=C(C3=CC=CC=C3N2C)C1(C)C)C(C)(C)C)C(=O)O
InChI: InChI=1S/C31H46N4O4/c1-18(2)22(16-19(3)29(38)39)35(11)28(37)25(30(4,5)6)32-27(36)26-31(7,8)24-20-14-12-13-15-21(20)34(10)23(24)17-33(26)9/h12-16,18,22,25-26H,17H2,1-11H3,(H,32,36)(H,38,39)/b19-16+
InChIKey: DTDKDYCVVOKSAV-KNTRCKAVSA-N
Source
Properties Information
Molecule Weight: 538.7330000000004
TPSA？: 94.88
MolLogP？: 4.314700000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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