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

Systemtic Name: 11-(1,3-benzoxazol-2-ylmethyl)-5,12-bis(oxidanylidene)-N-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-1-benzyl-2-hydroxy-ethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-1-benzyl-2-hydroxy-ethyl]-5,12-diketo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C34H35N3O6 MolecularWeight: 581.6582

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C(=O)NC(COC(=O)C1CC2=NC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)CO

Isomeric SMILES

C1C=CCC(C(=O)NC(COC(=O)C1CC2=NC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)N[C@H](CC5=CC=CC=C5)CO

InChI

InChI=1S/C34H35N3O6/c38-21-26(19-23-11-3-1-4-12-23)35-32(39)27-16-8-7-15-25(20-31-36-28-17-9-10-18-30(28)43-31)34(41)42-22-29(37-33(27)40)24-13-5-2-6-14-24/h1-14,17-18,25-27,29,38H,15-16,19-22H2,(H,35,39)(H,37,40)/t25?,26-,27?,29?/m1/s1