2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(2-amino-3-sulfanyl-propyl)amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[(2-amino-3-mercaptopropyl)amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(2-amino-3-sulfanylpropyl)amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(2-amino-3-mercapto-propyl)amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid Formula: C26H31N3O3S MolecularWeight: 465.60764

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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=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H31N3O3S/c1-16(2)12-24(26(31)32)29-25(30)22-11-10-19(28-14-18(27)15-33)13-23(22)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,13,16,18,24,28,33H,12,14-15,27H2,1-2H3,(H,29,30)(H,31,32)