N-[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: N-[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-3-(4-hydroxyphenyl)propanamide CAS Name: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-3-(4-hydroxyphenyl)propionamide Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NC(CCCCN)C(=O)CCl)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)N[C@@H](CCCCN)C(=O)CCl)O

InChI

InChI=1S/C16H23ClN2O3/c17-11-15(21)14(3-1-2-10-18)19-16(22)9-6-12-4-7-13(20)8-5-12/h4-5,7-8,14,20H,1-3,6,9-11,18H2,(H,19,22)/t14-/m0/s1