(6R,12R)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-12-(phenylmethyl)-1-oxa-4-azacyclotridec-8-ene-5,13-dione

Systemtic Name: (6R,12R)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-12-(phenylmethyl)-1-oxa-4-azacyclotridec-8-ene-5,13-dione Openeye Name: (6R,12R)-12-benzyl-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-1-oxa-4-azacyclotridec-8-ene-5,13-dione CAS Name: (6R,12R)-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-12-(phenylmethyl)-1-oxa-4-azacyclotridec-8-ene-5,13-dione IUPAC Name: (6R,12R)-12-benzyl-6-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-oxa-4-azacyclotridec-8-ene-5,13-dione Traditional Name: (6R,12R)-12-benzyl-6-[2-keto-2-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-1-oxa-4-azacyclotridec-8-ene-5,13-quinone Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)OCCNC(=O)C(CC=C1)CC(=O)N2CC3=CC=CC=C3CC2CO)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)OCCNC(=O)[C@H](CC=C1)CC(=O)N2CC3=CC=CC=C3C[C@H]2CO)CC4=CC=CC=C4

InChI

InChI=1S/C30H36N2O5/c33-21-27-18-23-11-7-8-14-26(23)20-32(27)28(34)19-24-12-5-2-6-13-25(17-22-9-3-1-4-10-22)30(36)37-16-15-31-29(24)35/h1-5,7-11,14,24-25,27,33H,6,12-13,15-21H2,(H,31,35)/t24-,25-,27+/m1/s1