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

Systemtic Name: (2S)-2-acetamido-5-[[nitroso(prop-2-ynyl)carbamoyl]amino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-[[nitroso(prop-2-ynyl)carbamoyl]amino]pentanamide CAS Name: (2S)-2-acetamido-5-[[[nitroso(prop-2-ynyl)amino]-oxomethyl]amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[[nitroso(prop-2-ynyl)carbamoyl]amino]pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-[[nitroso(propargyl)carbamoyl]amino]valeramide Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C18H23N5O4/c1-3-12-23(22-27)18(26)19-11-7-10-16(21-14(2)24)17(25)20-13-15-8-5-4-6-9-15/h1,4-6,8-9,16H,7,10-13H2,2H3,(H,19,26)(H,20,25)(H,21,24)/t16-/m0/s1