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

Systemtic Name: methyl (2S)-2-[[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(phenylmethyl)amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R,3S)-2-(benzylamino)-3-(tert-butoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-[(phenylmethyl)amino]butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,3S)-2-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R,3S)-2-(benzylamino)-3-(tert-butoxycarbonylamino)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]([C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H35N3O5/c1-18(28-25(32)34-26(2,3)4)22(27-17-20-14-10-7-11-15-20)23(30)29-21(24(31)33-5)16-19-12-8-6-9-13-19/h6-15,18,21-22,27H,16-17H2,1-5H3,(H,28,32)(H,29,30)/t18-,21-,22+/m0/s1