(2S,4R)-N-[(2S)-1-[methyl-(phenylmethyl)amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-4-oxidanyl-1-[1-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]indol-3-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[(2S)-1-[methyl-(phenylmethyl)amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-4-oxidanyl-1-[1-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]indol-3-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-[(1S)-2-[benzyl(methyl)amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]-4-hydroxy-1-[1-[4-(2H-tetrazol-5-yl)butyl]indole-3-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-[(2S)-1-[methyl-(phenylmethyl)amino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]-1-[oxo-[1-[4-(2H-tetrazol-5-yl)butyl]-3-indolyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-hydroxy-1-[1-[4-(2H-tetrazol-5-yl)butyl]indole-3-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-[(1S)-2-[benzyl(methyl)amino]-2-keto-1-(1-naphthylmethyl)ethyl]-4-hydroxy-1-[1-[4-(2H-tetrazol-5-yl)butyl]indole-3-carbonyl]pyrrolidine-2-carboxamide Formula: C40H42N8O4 MolecularWeight: 698.81268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C4CC(CN4C(=O)C5=CN(C6=CC=CC=C65)CCCCC7=NNN=N7)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC3=CC=CC=C32)NC(=O)[C@@H]4C[C@H](CN4C(=O)C5=CN(C6=CC=CC=C65)CCCCC7=NNN=N7)O

InChI

InChI=1S/C40H42N8O4/c1-46(24-27-12-3-2-4-13-27)40(52)34(22-29-16-11-15-28-14-5-6-17-31(28)29)41-38(50)36-23-30(49)25-48(36)39(51)33-26-47(35-19-8-7-18-32(33)35)21-10-9-20-37-42-44-45-43-37/h2-8,11-19,26,30,34,36,49H,9-10,20-25H2,1H3,(H,41,50)(H,42,43,44,45)/t30-,34+,36+/m1/s1