ethyl 3-phenyl-2-(phenylformamido)propanoate

AlkaPlorer ID: AK183306

Synonym: None

IUPAC Name: ethyl (2S)-2-benzamido-3-phenylpropanoate

Structure

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

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InChI: InChI=1S/C18H19NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)/t16-/m0/s1

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InChIKey: WTVXOKSBXDTJEM-INIZCTEOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 297.35400000000004

TPSA: 55.4

MolLogP: 2.5908000000000007

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens C-C chemokine receptor type 3 IC50 190.0 nM 10.1016/s0960-894x(01)00248-7

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009734 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1>>CCO enzymemap_69071
AKRT009735 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1>>O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1 enzymemap_69071