Colletopeptide D

AlkaPlorer ID: AK120642

Synonym: None

IUPAC Name: (3S,6R,9R,10R,12R)-6-benzyl-3-[(2S)-butan-2-yl]-10-hydroxy-12-[(6R)-6-hydroxyheptyl]-4,9-dimethyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione

Structure

SMILES: CC[C@H](C)[C@H]1C(=O)O[C@H](CCCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(O)=N[C@H](CC2=CC=CC=C2)C(=O)N1C

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InChI: InChI=1S/C29H46N2O6/c1-6-19(2)26-29(36)37-23(16-12-7-9-13-20(3)32)18-25(33)21(4)27(34)30-24(28(35)31(26)5)17-22-14-10-8-11-15-22/h8,10-11,14-15,19-21,23-26,32-33H,6-7,9,12-13,16-18H2,1-5H3,(H,30,34)/t19-,20+,21+,23+,24+,25+,26-/m0/s1

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InChIKey: FYFLUENRPAAKQH-PFDGYMCOSA-N

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Source

Properties Information

Molecule Weight: 518.6950000000002

TPSA: 119.66

MolLogP: 4.071100000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information