(Z)-5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-2-ethyl-7-methyl-4-oxidanyl-oct-2-enoic acid

Systemtic Name: (Z)-5-[2-[2-azanylpropanoyl(naphthalen-1-yl)amino]hexanoylamino]-2-ethyl-7-methyl-4-oxidanyl-oct-2-enoic acid Openeye Name: (Z)-5-[2-[2-aminopropanoyl(1-naphthyl)amino]hexanoylamino]-2-ethyl-4-hydroxy-7-methyl-oct-2-enoic acid CAS Name: (Z)-5-[[2-[(2-amino-1-oxopropyl)-(1-naphthalenyl)amino]-1-oxohexyl]amino]-2-ethyl-4-hydroxy-7-methyl-2-octenoic acid IUPAC Name: (Z)-5-[2-[2-aminopropanoyl(naphthalen-1-yl)amino]hexanoylamino]-2-ethyl-4-hydroxy-7-methyloct-2-enoic acid Traditional Name: (Z)-5-[2-[alanyl(1-naphthyl)amino]hexanoylamino]-2-ethyl-4-hydroxy-7-methyl-oct-2-enoic acid Formula: C30H43N3O5 MolecularWeight: 525.67952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(C=C(CC)C(=O)O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)N

Isomeric SMILES

CCCCC(C(=O)NC(CC(C)C)C(/C=C(/CC)\C(=O)O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)N

InChI

InChI=1S/C30H43N3O5/c1-6-8-15-26(28(35)32-24(17-19(3)4)27(34)18-21(7-2)30(37)38)33(29(36)20(5)31)25-16-11-13-22-12-9-10-14-23(22)25/h9-14,16,18-20,24,26-27,34H,6-8,15,17,31H2,1-5H3,(H,32,35)(H,37,38)/b21-18-