[3-[[(4R,5S,6S,7R)-3-[[3-(carboxyamino)phenyl]methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-bis(oxidanyl)-2-oxidanylidene-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid

Systemtic Name: [3-[[(4R,5S,6S,7R)-3-[[3-(carboxyamino)phenyl]methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-bis(oxidanyl)-2-oxidanylidene-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid Openeye Name: [3-[[(4R,5S,6S,7R)-3-[[3-(carboxyamino)phenyl]methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid CAS Name: [3-[[(4R,5S,6S,7R)-3-[[3-(carboxyamino)phenyl]methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid IUPAC Name: [3-[[(4R,5S,6S,7R)-3-[[3-(carboxyamino)phenyl]methyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid Traditional Name: [3-[[(4R,5S,6S,7R)-3-[3-(carboxyamino)benzyl]-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-2-keto-1,3-diazepan-1-yl]methyl]phenyl]carbamic acid Formula: C39H40N4O11 MolecularWeight: 740.7551

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC3C(C(C(N(C(=O)N3CC4=CC(=CC=C4)NC(=O)O)CC5=CC(=CC=C5)NC(=O)O)CC6=CC7=C(C=C6)OCCO7)O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[C@@H]3[C@@H]([C@H]([C@H](N(C(=O)N3CC4=CC(=CC=C4)NC(=O)O)CC5=CC(=CC=C5)NC(=O)O)CC6=CC7=C(C=C6)OCCO7)O)O

InChI

InChI=1S/C39H40N4O11/c44-35-29(17-23-7-9-31-33(19-23)53-13-11-51-31)42(21-25-3-1-5-27(15-25)40-37(46)47)39(50)43(22-26-4-2-6-28(16-26)41-38(48)49)30(36(35)45)18-24-8-10-32-34(20-24)54-14-12-52-32/h1-10,15-16,19-20,29-30,35-36,40-41,44-45H,11-14,17-18,21-22H2,(H,46,47)(H,48,49)/t29-,30-,35+,36+/m1/s1