Lymphostin; 2',3'-Dihydro, 3'-O-de-Me, N6-deacetyl, N6-(3-methylbutanoyl) 

AlkaPlorer ID: AK072851

Synonym: Neolymphostinol D

IUPAC Name: N-[6-(3-hydroxypropanoyl)-11-imino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-9-yl]-3-methylbutanamide

Structure

SMILES: CC(C)CC(=O)NC1=CC(N)=C2N=CC3=CC(C(=O)CCO)=NC1=C32

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InChI: InChI=1S/C18H20N4O3/c1-9(2)5-15(25)21-13-7-11(19)17-16-10(8-20-17)6-12(22-18(13)16)14(24)3-4-23/h6-9,23H,3-5,19H2,1-2H3,(H,21,25)

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InChIKey: ZOVSEGCRDSBGNJ-UHFFFAOYSA-N

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Reference

SuperNatural Ⅲ: SN0476265

COCONUT: CNP0329340

Source

Properties Information

Molecule Weight: 340.3830000000001

TPSA: 117.67000000000002

MolLogP: 2.430700000000001

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information