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

Systemtic Name: tert-butyl N-[(3S,6S,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-oxidanyl-ethyl]-5,8-bis(oxidanylidene)-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate Openeye Name: tert-butyl N-[(3S,6S,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-isopentyl-amino]-1-hydroxy-ethyl]-6-isopropyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate CAS Name: N-[(3S,6S,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,6S,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate Traditional Name: N-[(3S,6S,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-isoamyl-amino]-1-hydroxy-ethyl]-6-isopropyl-5,8-diketo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamic acid tert-butyl ester Formula: C39H59N5O9S MolecularWeight: 773.97886

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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)NC(=O)OC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

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)NC(=O)OC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C39H59N5O9S/c1-25(2)20-21-44(54(50,51)31-18-14-29(15-19-31)40-27(5)45)24-34(46)33-23-28-12-16-30(17-13-28)52-22-10-9-11-32(42-38(49)53-39(6,7)8)36(47)43-35(26(3)4)37(48)41-33/h12-19,25-26,32-35,46H,9-11,20-24H2,1-8H3,(H,40,45)(H,41,48)(H,42,49)(H,43,47)/t32-,33+,34-,35+/m1/s1