A-500359

AlkaPlorer ID: AK025858

Synonym: 'A-500359A', 'A-500359 A', 'A-500359'

IUPAC Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Structure

SMILES: CO[C@@H]1C([C@@H](O[C@H]2OC(C(O)=N[C@H]3CCC[C@@H](C)N=C3O)=C[C@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O

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InChI: InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17?,18-,22-,23-/m1/s1

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InChIKey: RVEJXOKUHHMFKS-MUAVOHOSSA-N

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Source

Properties Information

Molecule Weight: 583.5510000000002

TPSA: 261.99

MolLogP: -1.0413299999999963

Number of H-Donors: 8

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information