N-[(3S)-6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[(3S)-6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]-3-phenyl-propanamide Openeye Name: N-[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]-3-phenyl-propanamide CAS Name: N-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-3-phenylpropanamide IUPAC Name: N-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-3-phenylpropanamide Traditional Name: N-[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]-3-phenyl-propionamide Formula: C16H23ClN4O2 MolecularWeight: 338.83242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CCCN=C(N)N)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2/c17-11-14(22)13(7-4-10-20-16(18)19)21-15(23)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,21,23)(H4,18,19,20)/t13-/m0/s1