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

Systemtic Name: 11-(1,3-benzoxazol-2-ylmethyl)-2-methyl-5,12-bis(oxidanylidene)-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5,12-diketo-2-methyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(CC=CCC(C(=O)O1)CC2=NC3=CC=CC=C3O2)C(=O)NC(CO)C4=CC=CC=C4

Isomeric SMILES

CC1CNC(=O)C(CC=CCC(C(=O)O1)CC2=NC3=CC=CC=C3O2)C(=O)N[C@@H](CO)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O6/c1-18-16-29-26(33)21(27(34)31-23(17-32)19-9-3-2-4-10-19)12-6-5-11-20(28(35)36-18)15-25-30-22-13-7-8-14-24(22)37-25/h2-10,13-14,18,20-21,23,32H,11-12,15-17H2,1H3,(H,29,33)(H,31,34)/t18?,20?,21?,23-/m0/s1