N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-[(4-azanylpiperidin-1-yl)sulfonylmethyl]-3-phenyl-propanamide

Systemtic Name: N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-[(4-azanylpiperidin-1-yl)sulfonylmethyl]-3-phenyl-propanamide Openeye Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-[(4-amino-1-piperidyl)sulfonylmethyl]-3-phenyl-propanamide CAS Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[(4-amino-1-piperidinyl)sulfonylmethyl]-3-phenylpropanamide IUPAC Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[(4-aminopiperidin-1-yl)sulfonylmethyl]-3-phenylpropanamide Traditional Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-[(4-aminopiperidino)sulfonylmethyl]-3-phenyl-propionamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)N

Isomeric SMILES

C1CN(CCC1N)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)N

InChI

InChI=1S/C21H30N6O4S/c22-17-6-8-27(9-7-17)32(30,31)13-16(10-15-4-2-1-3-5-15)21(29)26-19(20(23)28)11-18-12-24-14-25-18/h1-5,12,14,16-17,19H,6-11,13,22H2,(H2,23,28)(H,24,25)(H,26,29)