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

Systemtic Name: 2-azanyl-3-[[5-(3-azanylpropylcarbamoyl)thiophen-2-yl]carbonylamino]-2-(phenylsulfonyl)propanoic acid Openeye Name: 2-amino-3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-2-(benzenesulfonyl)propanoic acid CAS Name: 2-amino-3-[[[5-[(3-aminopropylamino)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-2-(benzenesulfonyl)propanoic acid IUPAC Name: 2-amino-3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-2-(benzenesulfonyl)propanoic acid Traditional Name: 2-amino-3-[[5-(3-aminopropylcarbamoyl)thiophene-2-carbonyl]amino]-2-besyl-propionic acid Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(S2)C(=O)NCCCN)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(S2)C(=O)NCCCN)(C(=O)O)N

InChI

InChI=1S/C18H22N4O6S2/c19-9-4-10-21-15(23)13-7-8-14(29-13)16(24)22-11-18(20,17(25)26)30(27,28)12-5-2-1-3-6-12/h1-3,5-8H,4,9-11,19-20H2,(H,21,23)(H,22,24)(H,25,26)