Sinefungin; 2-N-Carbamoyl, amide 

AlkaPlorer ID: AK313578

Synonym: Antibiotic A 9145H, A 9145H

IUPAC Name: 5-amino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-(carbamoylamino)hexanamide

Structure

SMILES: N=C(O)NC(CCC(N)CC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)C(=N)O

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InChI: InChI=1S/C16H25N9O5/c17-6(1-2-7(13(19)28)24-16(20)29)3-8-10(26)11(27)15(30-8)25-5-23-9-12(18)21-4-22-14(9)25/h4-8,10-11,15,26-27H,1-3,17H2,(H2,19,28)(H2,18,21,22)(H3,20,24,29)

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InChIKey: GTPLNTCGROEJNK-UHFFFAOYSA-N

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Reference

PubChem CID: 21152669

COCONUT: CNP0342195.1

Source

Properties Information

Molecule Weight: 423.4340000000001

TPSA: 245.51999999999992

MolLogP: -1.4884599999999968

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information