3-[[5-(3-azanylpropylcarbamoyl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-(3-azanylpropylcarbamoyl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[5-[(3-aminopropylamino)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-3-phenyl-propionic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(S2)C(=O)NCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(S2)C(=O)NCCCN

InChI

InChI=1S/C18H21N3O4S/c19-9-4-10-20-17(24)14-7-8-15(26-14)18(25)21-13(11-16(22)23)12-5-2-1-3-6-12/h1-3,5-8,13H,4,9-11,19H2,(H,20,24)(H,21,25)(H,22,23)