methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]carbamothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]carbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]carbamothioylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]carbamothioylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]thiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CNC(=S)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CNC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H33N3O4S/c1-25(2,3)32-24(30)27-20(15-18-11-7-5-8-12-18)17-26-23(33)28-21(22(29)31-4)16-19-13-9-6-10-14-19/h5-14,20-21H,15-17H2,1-4H3,(H,27,30)(H2,26,28,33)/t20-,21-/m0/s1