Amychelin

AlkaPlorer ID: AK014358

Synonym: None

IUPAC Name: (4R)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-5-[formyl(hydroxy)amino]-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

Structure

SMILES: O=CN(O)CCC[C@@H](N=C(O)[C@H](CO)N=C(O)[C@@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H]1COC(C2=CC=CC=C2O)=N1)C(O)=N[C@@H]1CCCN(O)C1=O

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InChI: InChI=1S/C30H42N8O14/c39-11-19(25(45)31-17(6-3-9-37(50)15-42)24(44)32-18-7-4-10-38(51)30(18)49)33-26(46)20(12-40)34-27(47)21(13-41)35-28(48)22-14-52-29(36-22)16-5-1-2-8-23(16)43/h1-2,5,8,15,17-22,39-41,43,50-51H,3-4,6-7,9-14H2,(H,31,45)(H,32,44)(H,33,46)(H,34,47)(H,35,48)/t17-,18-,19+,20-,21+,22-/m1/s1

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InChIKey: YMYRNIMWOZETPY-OVQJPPBNSA-N

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Properties Information

Molecule Weight: 738.7080000000001

TPSA: 346.5400000000001

MolLogP: -1.2205999999999897

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information