[(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-4-ethoxy-1-phenyl-pent-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-ethoxy-1-phenyl-pent-1-enyl] hydrogen carbonate Openeye Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octanoyl]amino]-4-ethoxy-1-phenyl-pent-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-ethoxy-1-phenylpent-1-enyl] ester IUPAC Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctanoyl]amino]-4-ethoxy-1-phenylpent-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-ethoxy-1-phenyl-pent-1-enyl] ester Formula: C30H49N3O7 MolecularWeight: 563.72596

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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)CC(C)OCC)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)/CC(C)OCC)N)O

InChI

InChI=1S/C30H49N3O7/c1-7-9-15-32-28(35)20(5)16-26(34)24(31)18-23(19(3)4)29(36)33-25(17-21(6)39-8-2)27(40-30(37)38)22-13-11-10-12-14-22/h10-14,19-21,23-24,26,34H,7-9,15-18,31H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/b27-25-