(2S)-2-acetamido-N-[3-[(4-hydroxyphenyl)-nitroso-amino]propyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[3-[(4-hydroxyphenyl)-nitroso-amino]propyl]-3-phenyl-propanamide Openeye Name: (2S)-2-acetamido-N-[3-(4-hydroxy-N-nitroso-anilino)propyl]-3-phenyl-propanamide CAS Name: (2S)-2-acetamido-N-[3-(4-hydroxy-N-nitrosoanilino)propyl]-3-phenylpropanamide IUPAC Name: (2S)-2-acetamido-N-[3-(4-hydroxy-N-nitrosoanilino)propyl]-3-phenylpropanamide Traditional Name: (2S)-2-acetamido-N-[3-(4-hydroxy-N-nitroso-anilino)propyl]-3-phenyl-propionamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN(C2=CC=C(C=C2)O)N=O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN(C2=CC=C(C=C2)O)N=O

InChI

InChI=1S/C20H24N4O4/c1-15(25)22-19(14-16-6-3-2-4-7-16)20(27)21-12-5-13-24(23-28)17-8-10-18(26)11-9-17/h2-4,6-11,19,26H,5,12-14H2,1H3,(H,21,27)(H,22,25)/t19-/m0/s1