(3S)-4-azanyl-3-[[1-(6-azanylhexanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-azanyl-3-[[1-(6-azanylhexanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[1-(6-aminohexanoyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[[1-(6-amino-1-oxohexyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[1-(6-aminohexanoyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[[1-(6-aminohexanoyl)-4-phenyl-isonipecotoyl]amino]-4-keto-butyric acid Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)N)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N)C(=O)CCCCCN

InChI

InChI=1S/C22H32N4O5/c23-12-6-2-5-9-18(27)26-13-10-22(11-14-26,16-7-3-1-4-8-16)21(31)25-17(20(24)30)15-19(28)29/h1,3-4,7-8,17H,2,5-6,9-15,23H2,(H2,24,30)(H,25,31)(H,28,29)/t17-/m0/s1