[5-[[2-[[(E)-5-azanyl-5-methyl-hex-2-enoyl]-methyl-amino]-3-naphthalen-2-yl-propanoyl]-methyl-amino]-4-oxidanyl-6-phenyl-hexyl] ethanoate

Systemtic Name: [5-[[2-[[(E)-5-azanyl-5-methyl-hex-2-enoyl]-methyl-amino]-3-naphthalen-2-yl-propanoyl]-methyl-amino]-4-oxidanyl-6-phenyl-hexyl] ethanoate Openeye Name: [5-[[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-methyl-amino]-4-hydroxy-6-phenyl-hexyl] acetate CAS Name: acetic acid [5-[[2-[[(E)-5-amino-5-methyl-1-oxohex-2-enyl]-methylamino]-3-(2-naphthalenyl)-1-oxopropyl]-methylamino]-4-hydroxy-6-phenylhexyl] ester IUPAC Name: [5-[[2-[[(E)-5-amino-5-methylhex-2-enoyl]-methylamino]-3-naphthalen-2-ylpropanoyl]-methylamino]-4-hydroxy-6-phenylhexyl] acetate Traditional Name: acetic acid [5-[[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-methyl-amino]-4-hydroxy-6-phenyl-hexyl] ester Formula: C36H47N3O5 MolecularWeight: 601.77548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC(C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)C=CCC(C)(C)N)O

Isomeric SMILES

CC(=O)OCCCC(C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)/C=C/CC(C)(C)N)O

InChI

InChI=1S/C36H47N3O5/c1-26(40)44-22-12-17-33(41)31(24-27-13-7-6-8-14-27)39(5)35(43)32(38(4)34(42)18-11-21-36(2,3)37)25-28-19-20-29-15-9-10-16-30(29)23-28/h6-11,13-16,18-20,23,31-33,41H,12,17,21-22,24-25,37H2,1-5H3/b18-11+