2-[3-[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-prop-2-enyl-1,3-diazepan-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-prop-2-enyl-1,3-diazepan-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4R,5S,6S,7R)-3-allyl-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4R,5S,6S,7R)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-3-prop-2-enyl-1,3-diazepan-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-prop-2-enyl-1,3-diazepan-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4R,5S,6S,7R)-3-allyl-4,7-dibenzyl-5,6-dihydroxy-2-keto-1,3-diazepan-1-yl]propyl]isoindoline-1,3-quinone Formula: C33H35N3O5 MolecularWeight: 553.6481

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C(C(C(N(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

Isomeric SMILES

C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

InChI

InChI=1S/C33H35N3O5/c1-2-18-34-27(21-23-12-5-3-6-13-23)29(37)30(38)28(22-24-14-7-4-8-15-24)35(33(34)41)19-11-20-36-31(39)25-16-9-10-17-26(25)32(36)40/h2-10,12-17,27-30,37-38H,1,11,18-22H2/t27-,28-,29+,30+/m1/s1