methyl 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[(2-amino-3-sulfanyl-propyl)amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[(2-amino-3-mercaptopropyl)amino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-amino-3-sulfanylpropyl)amino]-2-phenylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[(2-amino-3-mercapto-propyl)amino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)