3-[3-[(1-carbamimidoylpiperidin-4-yl)carbonylamino]propanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[3-[(1-carbamimidoylpiperidin-4-yl)carbonylamino]propanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[3-[(1-carbamimidoylpiperidine-4-carbonyl)amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-[[(1-carbamimidoyl-4-piperidinyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-[(1-carbamimidoylpiperidine-4-carbonyl)amino]propanoylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[3-[(1-amidinoisonipecotoyl)amino]propanoylamino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C23H32N6O7 MolecularWeight: 504.53618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=N)N

InChI

InChI=1S/C23H32N6O7/c24-23(25)29-10-7-15(8-11-29)20(33)26-9-6-18(30)27-16(13-19(31)32)21(34)28-17(22(35)36)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H3,24,25)(H,26,33)(H,27,30)(H,28,34)(H,31,32)(H,35,36)