[(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-4-methoxy-1-phenyl-but-1-enyl] hydrogen carbonate

Systemtic Name: [(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-4-methoxy-1-phenyl-but-1-enyl] hydrogen carbonate Openeye Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octanoyl]amino]-4-methoxy-1-phenyl-but-1-enyl] hydrogen carbonate CAS Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-1,8-dioxo-2-propan-2-yloctyl]amino]-4-methoxy-1-phenylbut-1-enyl] ester IUPAC Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctanoyl]amino]-4-methoxy-1-phenylbut-1-enyl] hydrogen carbonate Traditional Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octanoyl]amino]-4-methoxy-1-phenyl-but-1-enyl] ester Formula: C28H45N3O7 MolecularWeight: 535.6728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C(C)C)C(=O)NC(=C(C1=CC=CC=C1)OC(=O)O)CCOC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C(C)C)C(=O)N/C(=C(/C1=CC=CC=C1)\OC(=O)O)/CCOC)N)O

InChI

InChI=1S/C28H45N3O7/c1-6-7-14-30-26(33)19(4)16-24(32)22(29)17-21(18(2)3)27(34)31-23(13-15-37-5)25(38-28(35)36)20-11-9-8-10-12-20/h8-12,18-19,21-22,24,32H,6-7,13-17,29H2,1-5H3,(H,30,33)(H,31,34)(H,35,36)/b25-23-