N-[3-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carboxamide

Systemtic Name: N-[3-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carboxamide Openeye Name: N-[3-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamoyl]phenyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carboxamide CAS Name: N-[3-[[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinecarboxamide IUPAC Name: N-[3-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide Traditional Name: N-[3-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamoyl]phenyl]-4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carboxamide Formula: C26H37N7O4 MolecularWeight: 511.61648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C26H37N7O4/c1-19(2)16-22(25(36)28-9-8-27)30-24(35)20-6-5-7-21(17-20)29-26(37)33-14-12-31(13-15-33)18-23(34)32-10-3-4-11-32/h5-7,17,19,22H,3-4,9-16,18H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t22-/m0/s1