5-[(4R,5S,6S,7R)-3-[5-(methylcarbamoyloxy)pentyl]-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]pentyl N-methylcarbamate

Systemtic Name: 5-[(4R,5S,6S,7R)-3-[5-(methylcarbamoyloxy)pentyl]-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]pentyl N-methylcarbamate Openeye Name: 5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoyloxy)pentyl]-2-oxo-1,3-diazepan-1-yl]pentyl N-methylcarbamate CAS Name: N-methylcarbamic acid 5-[(4R,5S,6S,7R)-5,6-dihydroxy-3-[5-(methylcarbamoyloxy)pentyl]-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]pentyl ester IUPAC Name: 5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoyloxy)pentyl]-2-oxo-1,3-diazepan-1-yl]pentyl N-methylcarbamate Traditional Name: N-methylcarbamic acid 5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-keto-3-[5-(methylcarbamoyloxy)pentyl]-1,3-diazepan-1-yl]pentyl ester Formula: C33H48N4O7 MolecularWeight: 612.75682

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OCCCCCN1C(C(C(C(N(C1=O)CCCCCOC(=O)NC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)OCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCOC(=O)NC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C33H48N4O7/c1-34-31(40)43-21-13-5-11-19-36-27(23-25-15-7-3-8-16-25)29(38)30(39)28(24-26-17-9-4-10-18-26)37(33(36)42)20-12-6-14-22-44-32(41)35-2/h3-4,7-10,15-18,27-30,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,40)(H,35,41)/t27-,28-,29+,30+/m1/s1