methyl (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]carbamothioylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-sulfanylidenemethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]pentanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]thiocarbamoylamino]-4-methyl-valeric acid methyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=S)NCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=S)NC[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4S/c1-18(2)14-22(23(29)31-3)28-24(33)26-16-21(15-19-10-6-4-7-11-19)27-25(30)32-17-20-12-8-5-9-13-20/h4-13,18,21-22H,14-17H2,1-3H3,(H,27,30)(H2,26,28,33)/t21-,22-/m0/s1