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

Systemtic Name: (2S)-2-acetamido-5-[1-nitrosoprop-2-enylcarbamoyl(propyl)amino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-[1-nitrosoallylcarbamoyl(propyl)amino]pentanamide CAS Name: (2S)-2-acetamido-5-[[(1-nitrosoprop-2-enylamino)-oxomethyl]-propylamino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[1-nitrosoprop-2-enylcarbamoyl(propyl)amino]pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-[1-nitrosoallylcarbamoyl(propyl)amino]valeramide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC(C=C)N=O

Isomeric SMILES

CCCN(CCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC(C=C)N=O

InChI

InChI=1S/C21H31N5O4/c1-4-13-26(21(29)24-19(5-2)25-30)14-9-12-18(23-16(3)27)20(28)22-15-17-10-7-6-8-11-17/h5-8,10-11,18-19H,2,4,9,12-15H2,1,3H3,(H,22,28)(H,23,27)(H,24,29)/t18-,19?/m0/s1