(2S)-2-acetamido-5-[[nitroso(prop-2-enyl)carbamoyl]-propyl-amino]-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-acetamido-5-[[nitroso(prop-2-enyl)carbamoyl]-propyl-amino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-5-[[allyl(nitroso)carbamoyl]-propyl-amino]-N-benzyl-pentanamide CAS Name: (2S)-2-acetamido-5-[[[nitroso(prop-2-enyl)amino]-oxomethyl]-propylamino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[[nitroso(prop-2-enyl)carbamoyl]-propylamino]pentanamide Traditional Name: (2S)-2-acetamido-5-[[allyl(nitroso)carbamoyl]-propyl-amino]-N-benzyl-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)N(CC=C)N=O

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O4/c1-4-13-25(21(29)26(24-30)14-5-2)15-9-12-19(23-17(3)27)20(28)22-16-18-10-7-6-8-11-18/h5-8,10-11,19H,2,4,9,12-16H2,1,3H3,(H,22,28)(H,23,27)/t19-/m0/s1