methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-propyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C29H34F3N3O5S MolecularWeight: 593.65757

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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.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H33N3O3S.C2HF3O2/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;3-2(4,5)1(6)7/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31);(H,6,7)/t19-,25+;/m1./s1