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

Systemtic Name: 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(2-amino-3-sulfanyl-propyl)amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[(2-amino-3-mercaptopropyl)amino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(2-amino-3-sulfanylpropyl)amino]-2-phenylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(2-amino-3-mercapto-propyl)amino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-14(2)10-20(22(27)28)25-21(26)18-9-8-17(24-12-16(23)13-29)11-19(18)15-6-4-3-5-7-15/h3-9,11,14,16,20,24,29H,10,12-13,23H2,1-2H3,(H,25,26)(H,27,28)