Aspergillipeptide A; 3'-Hydroxy

AlkaPlorer ID: AK289481

Synonym: Aspergillipeptide C

IUPAC Name: None

Structure

SMILES: CC(C)CC1NC(=O)C(NC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(C)OC(=O)C(C)CNC(=O)C(C)NC1=O

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InChI: InChI=1S/C26H36N4O8/c1-13(2)10-18-24(35)28-15(4)23(34)27-12-14(3)26(37)38-16(5)22(25(36)29-18)30-21(33)9-7-17-6-8-19(31)20(32)11-17/h6-9,11,13-16,18,22,31-32H,10,12H2,1-5H3,(H,27,34)(H,28,35)(H,29,36)(H,30,33)/b9-7+

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InChIKey: PMCMQSNCIDXCCR-VQHVLOKHSA-N

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Reference

CAS: 1423013-99-3

Source

Properties Information

Molecule Weight: 532.5940000000003

TPSA: 183.16

MolLogP: 0.3290000000000009

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information