Aurantiamide acetate

AlkaPlorer ID: AK006781

Synonym: '', '56121-42-7', 'Aurantiamide acetate', 'Asperglaucide'

IUPAC Name: [(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate

Structure

SMILES: CC(=O)OC[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1

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InChI: InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25-/m1/s1

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InChIKey: VZPAURMDJZOGHU-JWQCQUIFSA-N

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Reference

PubChem CID: 13855372

SuperNatural Ⅲ: SN0404375-06

NPASS: NPC72697

Properties Information

Molecule Weight: 444.5310000000001

TPSA: 84.5

MolLogP: 3.3183000000000016

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information