Americine; N-Me 

AlkaPlorer ID: AK186475

Synonym: N-Methylamericine, 5-β-Indolylmethyl-8N-(N,N-dimethylvalyl)-9-isopropylphencyclopeptine 

IUPAC Name: 2-(dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide

Structure

SMILES: CC(C)C1OC2=CC=C(C=CNC(=O)C(CC3=CNC4=CC=CC=C34)NC(=O)C1NC(=O)C(C(C)C)N(C)C)C=C2

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InChI: InChI=1S/C32H41N5O4/c1-19(2)28(37(5)6)32(40)36-27-29(20(3)4)41-23-13-11-21(12-14-23)15-16-33-30(38)26(35-31(27)39)17-22-18-34-25-10-8-7-9-24(22)25/h7-16,18-20,26-29,34H,17H2,1-6H3,(H,33,38)(H,35,39)(H,36,40)

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InChIKey: VQVWXDPUQDBOFU-UHFFFAOYSA-N

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Reference

PubChem CID: 162983572

COCONUT: CNP0255977

Properties Information

Molecule Weight: 559.7110000000001

TPSA: 115.56

MolLogP: 3.4703000000000017

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information