3-[[5-azanyl-5-azanylidene-2-[(4-cyclopentylphenyl)sulfonylamino]-4-piperidin-3-yl-pentanoyl]-cyclopropyl-amino]propanoic acid

Systemtic Name: 3-[[5-azanyl-5-azanylidene-2-[(4-cyclopentylphenyl)sulfonylamino]-4-piperidin-3-yl-pentanoyl]-cyclopropyl-amino]propanoic acid Openeye Name: 3-[[5-amino-2-[(4-cyclopentylphenyl)sulfonylamino]-5-imino-4-(3-piperidyl)pentanoyl]-cyclopropyl-amino]propanoic acid CAS Name: 3-[[5-amino-2-[(4-cyclopentylphenyl)sulfonylamino]-5-imino-1-oxo-4-(3-piperidinyl)pentyl]-cyclopropylamino]propanoic acid IUPAC Name: 3-[[5-amino-2-[(4-cyclopentylphenyl)sulfonylamino]-5-imino-4-piperidin-3-ylpentanoyl]-cyclopropylamino]propanoic acid Traditional Name: 3-[[5-amino-2-[(4-cyclopentylphenyl)sulfonylamino]-5-imino-4-(3-piperidyl)pentanoyl]-cyclopropyl-amino]propionic acid Formula: C27H41N5O5S MolecularWeight: 547.70994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(C3CCCNC3)C(=N)N)C(=O)N(CCC(=O)O)C4CC4

Isomeric SMILES

C1CCC(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(C3CCCNC3)C(=N)N)C(=O)N(CCC(=O)O)C4CC4

InChI

InChI=1S/C27H41N5O5S/c28-26(29)23(20-6-3-14-30-17-20)16-24(27(35)32(21-9-10-21)15-13-25(33)34)31-38(36,37)22-11-7-19(8-12-22)18-4-1-2-5-18/h7-8,11-12,18,20-21,23-24,30-31H,1-6,9-10,13-17H2,(H3,28,29)(H,33,34)