58115-31-4

AlkaPlorer ID: AK039054

Synonym: 'Aurantiamide', ''

IUPAC Name: N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

Structure

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

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InChI: InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23+/m1/s1

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InChIKey: KSVKECXWDNCRTM-PKTZIBPZSA-N

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Reference

PubChem CID: 162944350

SuperNatural Ⅲ: SN0194509-02

NPASS: NPC226118

Properties Information

Molecule Weight: 402.4940000000001

TPSA: 85.41000000000001

MolLogP: 4.162600000000003

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information