2-azanyl-N-[1-(1H-imidazol-5-yl)-2-methanoyl-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-yl-amino]-3-oxidanylidene-heptan-4-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[1-(1H-imidazol-5-yl)-2-methanoyl-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-yl-amino]-3-oxidanylidene-heptan-4-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[3-formyl-4-(1H-imidazol-5-yl)-3-[(4-methyl-2-piperidyl)-piperazin-2-yl-amino]-2-oxo-1-sec-butyl-butyl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-formyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(4-methyl-2-piperidinyl)-(2-piperazinyl)amino]-3-oxoheptan-4-yl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[2-formyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-ylamino]-3-oxoheptan-4-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-[3-formyl-4-(1H-imidazol-5-yl)-2-keto-3-[(4-methyl-2-piperidyl)-piperazin-2-yl-amino]-1-sec-butyl-butyl]-3-phenyl-propionamide Formula: C31H48N8O3 MolecularWeight: 580.76462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CC1=CN=CN1)(C=O)N(C2CC(CCN2)C)C3CNCCN3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)C(C(=O)C(CC1=CN=CN1)(C=O)N(C2CC(CCN2)C)C3CNCCN3)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C31H48N8O3/c1-4-22(3)28(38-30(42)25(32)15-23-8-6-5-7-9-23)29(41)31(19-40,16-24-17-34-20-37-24)39(27-18-33-12-13-36-27)26-14-21(2)10-11-35-26/h5-9,17,19-22,25-28,33,35-36H,4,10-16,18,32H2,1-3H3,(H,34,37)(H,38,42)