2-azanyl-3-(4-hydroxyphenyl)-N-[3-oxidanyl-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]propanamide hydrate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)-N-[3-oxidanyl-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]propanamide hydrate Openeye Name: 2-amino-N-[1-(hydroxymethyl)-2-oxo-2-(3-phenylpropylamino)ethyl]-3-(4-hydroxyphenyl)propanamide hydrate CAS Name: 2-amino-N-[3-hydroxy-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-(4-hydroxyphenyl)propanamide hydrate IUPAC Name: 2-amino-N-[3-hydroxy-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-(4-hydroxyphenyl)propanamide hydrate Traditional Name: 2-amino-3-(4-hydroxyphenyl)-N-[2-keto-1-methylol-2-(3-phenylpropylamino)ethyl]propionamide hydrate Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N.O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N.O

InChI

InChI=1S/C21H27N3O4.H2O/c22-18(13-16-8-10-17(26)11-9-16)20(27)24-19(14-25)21(28)23-12-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11,18-19,25-26H,4,7,12-14,22H2,(H,23,28)(H,24,27);1H2