2-[(2-azanyl-3-phenyl-propanoyl)-(2,3-dihydro-1-benzothiophen-2-ylcarbonyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(2,3-dihydro-1-benzothiophen-2-ylcarbonyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(2,3-dihydrobenzothiophene-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(2,3-dihydro-1-benzothiophene-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[2,3-dihydrobenzothiophene-2-carbonyl(phenylalanyl)amino]-4-methyl-valeric acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C(=O)C1CC2=CC=CC=C2S1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)O)N(C(=O)C1CC2=CC=CC=C2S1)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N2O4S/c1-15(2)12-19(24(29)30)26(22(27)18(25)13-16-8-4-3-5-9-16)23(28)21-14-17-10-6-7-11-20(17)31-21/h3-11,15,18-19,21H,12-14,25H2,1-2H3,(H,29,30)