N-[(2S)-1-[[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-[[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2S)-1-[[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-[[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-keto-ethyl]nicotinamide Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)CCl)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)CCl)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C22H27ClN4O3/c23-14-20(28)18(10-4-5-11-24)26-22(30)19(13-16-7-2-1-3-8-16)27-21(29)17-9-6-12-25-15-17/h1-3,6-9,12,15,18-19H,4-5,10-11,13-14,24H2,(H,26,30)(H,27,29)/t18-,19-/m0/s1