3-[[5-aminocarbonyl-7-(1-carbamimidoylpiperidin-3-yl)-5-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-heptyl]amino]propanoic acid

Systemtic Name: 3-[[5-aminocarbonyl-7-(1-carbamimidoylpiperidin-3-yl)-5-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-heptyl]amino]propanoic acid Openeye Name: 3-[[7-(1-carbamimidoyl-3-piperidyl)-5-carbamoyl-5-(2-naphthylsulfonylamino)-4-oxo-heptyl]amino]propanoic acid CAS Name: 3-[[7-(1-carbamimidoyl-3-piperidinyl)-5-carbamoyl-5-(2-naphthalenylsulfonylamino)-4-oxoheptyl]amino]propanoic acid IUPAC Name: 3-[[7-(1-carbamimidoylpiperidin-3-yl)-5-carbamoyl-5-(naphthalen-2-ylsulfonylamino)-4-oxoheptyl]amino]propanoic acid Traditional Name: 3-[[7-(1-amidino-3-piperidyl)-5-carbamoyl-4-keto-5-(2-naphthylsulfonylamino)heptyl]amino]propionic acid Formula: C27H38N6O6S MolecularWeight: 574.69222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CCC(C(=O)CCCNCCC(=O)O)(C(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CCC(C(=O)CCCNCCC(=O)O)(C(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H38N6O6S/c28-25(37)27(23(34)8-3-14-31-15-12-24(35)36,13-11-19-5-4-16-33(18-19)26(29)30)32-40(38,39)22-10-9-20-6-1-2-7-21(20)17-22/h1-2,6-7,9-10,17,19,31-32H,3-5,8,11-16,18H2,(H2,28,37)(H3,29,30)(H,35,36)