2-[(2-azanyl-4-methyl-pentanoyl)amino]-N-ethanoyl-5-(1-phenylethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]-N-ethanoyl-5-(1-phenylethyl)thiophene-3-carboxamide Openeye Name: N-acetyl-2-[(2-amino-4-methyl-pentanoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxamide CAS Name: N-acetyl-2-[(2-amino-4-methyl-1-oxopentyl)amino]-5-(1-phenylethyl)-3-thiophenecarboxamide IUPAC Name: N-acetyl-2-[(2-amino-4-methylpentanoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxamide Traditional Name: N-acetyl-2-[(2-amino-4-methyl-pentanoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=C(C=C(S1)C(C)C2=CC=CC=C2)C(=O)NC(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)NC1=C(C=C(S1)C(C)C2=CC=CC=C2)C(=O)NC(=O)C)N

InChI

InChI=1S/C21H27N3O3S/c1-12(2)10-17(22)20(27)24-21-16(19(26)23-14(4)25)11-18(28-21)13(3)15-8-6-5-7-9-15/h5-9,11-13,17H,10,22H2,1-4H3,(H,24,27)(H,23,25,26)