Cladosin K

AlkaPlorer ID: AK115661

Synonym: None

IUPAC Name: 3-[C-[(2R,4S)-2-anilino-4-hydroxypentyl]-N-phenylcarbonimidoyl]-4-hydroxy-5-propan-2-ylidenepyrrol-2-one

Structure

SMILES: CC(C)=C1NC(=O)C(C(C[C@H](C[C@H](C)O)NC2=CC=CC=C2)=NC2=CC=CC=C2)=C1O

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InChI: InChI=1S/C25H29N3O3/c1-16(2)23-24(30)22(25(31)28-23)21(27-19-12-8-5-9-13-19)15-20(14-17(3)29)26-18-10-6-4-7-11-18/h4-13,17,20,26,29-30H,14-15H2,1-3H3,(H,28,31)/t17-,20-/m0/s1

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InChIKey: LQVVUVSMCUMJAP-PXNSSMCTSA-N

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Properties Information

Molecule Weight: 419.5250000000001

TPSA: 93.95

MolLogP: 4.636600000000003

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information