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

Systemtic Name: (2S)-2-acetamido-N-[4-[(4-hydroxyphenyl)-nitroso-amino]butyl]-3-phenyl-propanamide Openeye Name: (2S)-2-acetamido-N-[4-(4-hydroxy-N-nitroso-anilino)butyl]-3-phenyl-propanamide CAS Name: (2S)-2-acetamido-N-[4-(4-hydroxy-N-nitrosoanilino)butyl]-3-phenylpropanamide IUPAC Name: (2S)-2-acetamido-N-[4-(4-hydroxy-N-nitrosoanilino)butyl]-3-phenylpropanamide Traditional Name: (2S)-2-acetamido-N-[4-(4-hydroxy-N-nitroso-anilino)butyl]-3-phenyl-propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-16(26)23-20(15-17-7-3-2-4-8-17)21(28)22-13-5-6-14-25(24-29)18-9-11-19(27)12-10-18/h2-4,7-12,20,27H,5-6,13-15H2,1H3,(H,22,28)(H,23,26)/t20-/m0/s1