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

Systemtic Name: 2-methyl-5,12-bis(oxidanylidene)-11-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: N-[(1R)-1-benzyl-2-hydroxy-ethyl]-2-methyl-5,12-dioxo-11-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-5,12-dioxo-11-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-5,12-dioxo-11-(2-oxo-2-pyrrolidin-1-ylethyl)-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: N-[(1R)-1-benzyl-2-hydroxy-ethyl]-5,12-diketo-11-(2-keto-2-pyrrolidino-ethyl)-2-methyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C27H37N3O6 MolecularWeight: 499.59918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(CC=CCC(C(=O)O1)CC(=O)N2CCCC2)C(=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

CC1CNC(=O)C(CC=CCC(C(=O)O1)CC(=O)N2CCCC2)C(=O)N[C@H](CC3=CC=CC=C3)CO

InChI

InChI=1S/C27H37N3O6/c1-19-17-28-25(33)23(26(34)29-22(18-31)15-20-9-3-2-4-10-20)12-6-5-11-21(27(35)36-19)16-24(32)30-13-7-8-14-30/h2-6,9-10,19,21-23,31H,7-8,11-18H2,1H3,(H,28,33)(H,29,34)/t19?,21?,22-,23?/m1/s1