(2S)-2-acetamido-5-(1-nitrosoprop-2-enylcarbamoylamino)-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-acetamido-5-(1-nitrosoprop-2-enylcarbamoylamino)-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-(1-nitrosoallylcarbamoylamino)pentanamide CAS Name: (2S)-2-acetamido-5-[[(1-nitrosoprop-2-enylamino)-oxomethyl]amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-(1-nitrosoprop-2-enylcarbamoylamino)pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-(1-nitrosoallylcarbamoylamino)valeramide Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c1-3-16(23-27)22-18(26)19-11-7-10-15(21-13(2)24)17(25)20-12-14-8-5-4-6-9-14/h3-6,8-9,15-16H,1,7,10-12H2,2H3,(H,20,25)(H,21,24)(H2,19,22,26)/t15-,16?/m0/s1