2-acetamido-N-[1-[[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: 2-acetamido-N-[1-[[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide Openeye Name: 2-acetamido-N-[2-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: 2-acetamido-N-[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-phenylpropanamide IUPAC Name: 2-acetamido-N-[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: 2-acetamido-N-[2-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-phenyl-propionamide Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)N

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)N

InChI

InChI=1S/C28H31N7O4/c1-17(36)33-24(11-18-7-3-2-4-8-18)27(38)35-25(12-19-14-31-22-10-6-5-9-21(19)22)28(39)34-23(26(29)37)13-20-15-30-16-32-20/h2-10,14-16,23-25,31H,11-13H2,1H3,(H2,29,37)(H,30,32)(H,33,36)(H,34,39)(H,35,38)