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

Systemtic Name: tert-butyl N-[(3S,6R,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-oxidanyl-ethyl]-6-butyl-5,8-bis(oxidanylidene)-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate Openeye Name: tert-butyl N-[(3S,6R,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-isopentyl-amino]-1-hydroxy-ethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate CAS Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-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,6R,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate Traditional Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-isoamyl-amino]-1-hydroxy-ethyl]-6-butyl-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: C40H61N5O9S MolecularWeight: 788.00544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(CC2=CC=C(C=C2)OCCCCC(C(=O)N1)NC(=O)OC(C)(C)C)C(CN(CCC(C)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)O

Isomeric SMILES

CCCC[C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCC[C@H](C(=O)N1)NC(=O)OC(C)(C)C)[C@@H](CN(CCC(C)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)O

InChI

InChI=1S/C40H61N5O9S/c1-8-9-12-33-37(48)43-35(36(47)26-45(23-22-27(2)3)55(51,52)32-20-16-30(17-21-32)41-28(4)46)25-29-14-18-31(19-15-29)53-24-11-10-13-34(38(49)42-33)44-39(50)54-40(5,6)7/h14-21,27,33-36,47H,8-13,22-26H2,1-7H3,(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t33-,34-,35+,36-/m1/s1