ethyl (2S)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H35N3O5/c1-5-29-20(27)18(15-16-11-7-6-8-12-16)25-19(26)17(23)13-9-10-14-24-21(28)30-22(2,3)4/h6-8,11-12,17-18H,5,9-10,13-15,23H2,1-4H3,(H,24,28)(H,25,26)/t17-,18-/m0/s1