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

Systemtic Name: methyl 2-[[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[(2-amino-3-sulfanyl-propyl)amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[(2-amino-3-mercaptopropyl)amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-amino-3-sulfanylpropyl)amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[(2-amino-3-mercapto-propyl)amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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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=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-17(2)13-25(27(32)33-3)30-26(31)23-12-11-20(29-15-19(28)16-34)14-24(23)22-10-6-8-18-7-4-5-9-21(18)22/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31)