4-azanyl-N-[(2R)-2-[(3S,6S,9R)-9-azanyl-5,8-bis(oxidanylidene)-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-oxidanyl-ethyl]-N-(3-methylbutyl)benzenesulfonamide

Systemtic Name: 4-azanyl-N-[(2R)-2-[(3S,6S,9R)-9-azanyl-5,8-bis(oxidanylidene)-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-oxidanyl-ethyl]-N-(3-methylbutyl)benzenesulfonamide Openeye Name: 4-amino-N-[(2R)-2-[(3S,6S,9R)-9-amino-6-isopropyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxy-ethyl]-N-isopentyl-benzenesulfonamide CAS Name: 4-amino-N-[(2R)-2-[(3S,6S,9R)-9-amino-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide IUPAC Name: 4-amino-N-[(2R)-2-[(3S,6S,9R)-9-amino-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide Traditional Name: 4-amino-N-[(2R)-2-[(3S,6S,9R)-9-amino-6-isopropyl-5,8-diketo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxy-ethyl]-N-isoamyl-benzenesulfonamide Formula: C32H49N5O6S MolecularWeight: 631.82636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C1CC2=CC=C(C=C2)OCCCCC(C(=O)NC(C(=O)N1)C(C)C)N)O)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CCN(C[C@H]([C@@H]1CC2=CC=C(C=C2)OCCCC[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)N)O)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C32H49N5O6S/c1-21(2)16-17-37(44(41,42)26-14-10-24(33)11-15-26)20-29(38)28-19-23-8-12-25(13-9-23)43-18-6-5-7-27(34)31(39)36-30(22(3)4)32(40)35-28/h8-15,21-22,27-30,38H,5-7,16-20,33-34H2,1-4H3,(H,35,40)(H,36,39)/t27-,28+,29-,30+/m1/s1