5,12-bis(oxidanylidene)-11-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide

Systemtic Name: 5,12-bis(oxidanylidene)-11-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5,12-dioxo-11-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: N-[(1R)-2-hydroxy-1-phenylethyl]-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: N-[(1R)-2-hydroxy-1-phenylethyl]-5,12-dioxo-11-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5,12-diketo-11-(2-keto-2-pyrrolidino-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2CC=CCC(C(=O)NC(COC2=O)C3=CC=CC=C3)C(=O)NC(CO)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CC2CC=CCC(C(=O)NC(COC2=O)C3=CC=CC=C3)C(=O)N[C@@H](CO)C4=CC=CC=C4

InChI

InChI=1S/C31H37N3O6/c35-20-26(22-11-3-1-4-12-22)32-29(37)25-16-8-7-15-24(19-28(36)34-17-9-10-18-34)31(39)40-21-27(33-30(25)38)23-13-5-2-6-14-23/h1-8,11-14,24-27,35H,9-10,15-21H2,(H,32,37)(H,33,38)/t24?,25?,26-,27?/m0/s1