aspergilloid C

AlkaPlorer ID: AK015485

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(O[C@@H](C(C)C)C(N1[C@H](C2)C(O[C@]32[C@H](N4)N(C([C@@H]4CC)=O)C5=CC=CC=C35)=O)=NC6=CC=CC=C6C1=O)=O

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InChI: InChI=1S/C29H30N4O6/c1-5-19-26(36)33-21-13-9-7-11-18(21)29(28(33)31-19)14-22(27(37)39-29)32-24(23(15(2)3)38-16(4)34)30-20-12-8-6-10-17(20)25(32)35/h6-13,15,19,22-23,28,31H,5,14H2,1-4H3/t19-,22+,23-,28+,29-/m0/s1

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InChIKey: MJIIXGWKLPQDIO-BZXBQLLJSA-N

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Source

Properties Information

Molecule Weight: 530.5810000000002

TPSA: 119.83000000000001

MolLogP: 3.0947000000000013

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information