ethyl (2S)-2-[[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-(tert-butoxycarbonylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2,2-dimethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxononyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(tert-butoxycarbonylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H44N2O5 MolecularWeight: 476.64866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)(C)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(C(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H44N2O5/c1-8-10-11-15-18-22(29-25(32)34-26(3,4)5)27(6,7)24(31)28-21(23(30)33-9-2)19-20-16-13-12-14-17-20/h12-14,16-17,21-22H,8-11,15,18-19H2,1-7H3,(H,28,31)(H,29,32)/t21-,22?/m0/s1