3-[3-azanyl-4-(4-carbamimidoylphenyl)thiophen-2-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-[3-azanyl-4-(4-carbamimidoylphenyl)thiophen-2-yl]propanoyl 4-azanyl-4-oxidanylidene-butanoate Openeye Name: 3-[3-amino-4-(4-carbamimidoylphenyl)-2-thienyl]propanoyl 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [3-[3-amino-4-(4-carbamimidoylphenyl)-2-thiophenyl]-1-oxopropyl] ester IUPAC Name: 3-[3-amino-4-(4-carbamimidoylphenyl)thiophen-2-yl]propanoyl 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid 3-[4-(4-amidinophenyl)-3-amino-2-thienyl]propanoyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=C2N)CCC(=O)OC(=O)CCC(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=C2N)CCC(=O)OC(=O)CCC(=O)N)C(=N)N

InChI

InChI=1S/C18H20N4O4S/c19-14(23)6-8-16(25)26-15(24)7-5-13-17(20)12(9-27-13)10-1-3-11(4-2-10)18(21)22/h1-4,9H,5-8,20H2,(H2,19,23)(H3,21,22)