6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-N-[1-oxidanylidene-1-[(1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]hexanamide

Systemtic Name: 6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-N-[1-oxidanylidene-1-[(1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]hexanamide Openeye Name: 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]-N-[1-benzyl-2-[(1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethyl]hexanamide CAS Name: 6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-(3-methyl-4-imidazolyl)-1-oxopropyl]amino]-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]hexanamide IUPAC Name: 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]hexanamide Traditional Name: 6-amino-N-[1-benzyl-2-[(1-benzyl-2-keto-ethyl)amino]-2-keto-ethyl]-2-[[2-(glycylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanamide Formula: C33H44N8O5 MolecularWeight: 632.75306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C=O)NC(=O)CN

Isomeric SMILES

CN1C=NC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C=O)NC(=O)CN

InChI

InChI=1S/C33H44N8O5/c1-41-22-36-20-26(41)18-29(38-30(43)19-35)33(46)39-27(14-8-9-15-34)31(44)40-28(17-24-12-6-3-7-13-24)32(45)37-25(21-42)16-23-10-4-2-5-11-23/h2-7,10-13,20-22,25,27-29H,8-9,14-19,34-35H2,1H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)