Unnarmicin D

AlkaPlorer ID: AK083821

Synonym: None

IUPAC Name: (3S,9R,16R)-3-benzyl-9-[(4-hydroxyphenyl)methyl]-16-nonyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone

Structure

SMILES: CCCCCCCCC[C@@H]1CC(O)=NCC(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=NCC(O)=N[C@@H](CC2=CC=CC=C2)C(=O)O1

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InChI: InChI=1S/C34H46N4O7/c1-2-3-4-5-6-7-11-14-27-21-30(40)35-22-31(41)37-28(19-25-15-17-26(39)18-16-25)33(43)36-23-32(42)38-29(34(44)45-27)20-24-12-9-8-10-13-24/h8-10,12-13,15-18,27-29,39H,2-7,11,14,19-23H2,1H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t27-,28-,29+/m1/s1

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InChIKey: XXJNZEUPNUTKTE-NLDZOOGBSA-N

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Source

Properties Information

Molecule Weight: 622.7630000000003

TPSA: 176.89

MolLogP: 6.196800000000006

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information