(2S)-2-acetamido-5-[1-nitrosoprop-2-enylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-acetamido-5-[1-nitrosoprop-2-enylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(1-nitrosoallylcarbamoyl)amino]pentanamide CAS Name: (2S)-2-acetamido-5-[[(1-nitrosoprop-2-enylamino)-oxomethyl]-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(1-nitrosoprop-2-enylcarbamoyl)amino]pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(1-nitrosoallylcarbamoyl)amino]valeramide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NC(C=C)N=O)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CCCN(CC1=CC=CC=C1)C(=O)NC(C=C)N=O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C25H31N5O4/c1-3-23(29-34)28-25(33)30(18-21-13-8-5-9-14-21)16-10-15-22(27-19(2)31)24(32)26-17-20-11-6-4-7-12-20/h3-9,11-14,22-23H,1,10,15-18H2,2H3,(H,26,32)(H,27,31)(H,28,33)/t22-,23?/m0/s1