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3-[2-(3-methylbutylamino)-1-oxidanyl-ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione

3-[2-(3-methylbutylamino)-1-oxidanyl-ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione

Systemtic Name:3-[2-(3-methylbutylamino)-1-oxidanyl-ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
Openeye Name:3-[1-hydroxy-2-(isopentylamino)ethyl]-6-isopropyl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
CAS Name:3-[1-hydroxy-2-(3-methylbutylamino)ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
IUPAC Name:3-[1-hydroxy-2-(3-methylbutylamino)ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
Traditional Name:3-[1-hydroxy-2-(isoamylamino)ethyl]-6-isopropyl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-quinone
Formula: C24H39N3O4
MolecularWeight: 433.58416
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C1CC2=CC=C(C=C2)OCCCC(=O)NC(C(=O)N1)C(C)C)O


Isomeric SMILES

CC(C)CCNCC(C1CC2=CC=C(C=C2)OCCCC(=O)NC(C(=O)N1)C(C)C)O


InChI

InChI=1S/C24H39N3O4/c1-16(2)11-12-25-15-21(28)20-14-18-7-9-19(10-8-18)31-13-5-6-22(29)27-23(17(3)4)24(30)26-20/h7-10,16-17,20-21,23,25,28H,5-6,11-15H2,1-4H3,(H,26,30)(H,27,29)


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