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

Systemtic Name: (2S)-2-azanyl-N-[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-3-phenyl-propionamide Formula: C16H24ClN3O2 MolecularWeight: 325.83366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O2/c17-11-15(21)14(8-4-5-9-18)20-16(22)13(19)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,22)/t13-,14-/m0/s1