N-[(3S,6R,9R)-3-[(1R)-2-[(4-aminophenyl)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]ethanamide

Systemtic Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-aminophenyl)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]ethanamide Openeye Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-aminophenyl)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]acetamide CAS Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-aminophenyl)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]acetamide IUPAC Name: N-[(3S,6R,9R)-3-[(1R)-2-[(4-aminophenyl)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]acetamide Traditional Name: N-[(3S,6R,9R)-6-butyl-3-[(1R)-1-hydroxy-2-[isoamyl(sulfanilyl)amino]ethyl]-5,8-diketo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]acetamide Formula: C35H53N5O7S MolecularWeight: 687.88962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N5O7S/c1-5-6-9-31-35(44)39-32(33(42)23-40(20-19-24(2)3)48(45,46)29-17-13-27(36)14-18-29)22-26-11-15-28(16-12-26)47-21-8-7-10-30(34(43)38-31)37-25(4)41/h11-18,24,30-33,42H,5-10,19-23,36H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)/t30-,31-,32+,33-/m1/s1