methyl (2S)-2-[[(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-(tert-butoxycarbonylamino)-2-ethyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-ethyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-4-(tert-butoxycarbonylamino)-2-ethyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC[C@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H32N2O5/c1-6-16(12-13-22-20(26)28-21(2,3)4)18(24)23-17(19(25)27-5)14-15-10-8-7-9-11-15/h7-11,16-17H,6,12-14H2,1-5H3,(H,22,26)(H,23,24)/t16-,17+/m1/s1