ethyl 3-tert-butyl-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]heptanoate

Systemtic Name: ethyl 3-tert-butyl-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]heptanoate Openeye Name: ethyl 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3-tert-butyl-6-methyl-heptanoate CAS Name: 3-tert-butyl-6-methyl-4-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 3-tert-butyl-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]heptanoate Traditional Name: 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3-tert-butyl-6-methyl-enanthic acid ethyl ester Formula: C31H51N3O6 MolecularWeight: 561.75314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H51N3O6/c1-11-39-26(35)19-23(30(5,6)7)24(17-20(2)3)33-27(36)21(4)32-28(37)25(18-22-15-13-12-14-16-22)34-29(38)40-31(8,9)10/h12-16,20-21,23-25H,11,17-19H2,1-10H3,(H,32,37)(H,33,36)(H,34,38)