2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: 2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: 2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-3-methyl-2-oxo-piperazin-1-yl]-3-(4-hydroxyphenyl)propanamide CAS Name: 2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-methyl-2-oxo-1-piperazinyl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: 2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-3-methyl-2-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: 2-[(3S)-4-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-2-keto-3-methyl-piperazino]-3-(4-hydroxyphenyl)propionamide Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C(CC2=CN=CN2)NC(=O)C)C(CC3=CC=C(C=C3)O)C(=O)N

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C(CC2=CN=CN2)NC(=O)C)C(CC3=CC=C(C=C3)O)C(=O)N

InChI

InChI=1S/C22H28N6O5/c1-13-21(32)28(19(20(23)31)9-15-3-5-17(30)6-4-15)8-7-27(13)22(33)18(26-14(2)29)10-16-11-24-12-25-16/h3-6,11-13,18-19,30H,7-10H2,1-2H3,(H2,23,31)(H,24,25)(H,26,29)/t13-,18?,19?/m0/s1