(2S)-2-[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butylamino]-3-phenyl-propanamide Openeye Name: (2S)-2-[4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]butylamino]-3-phenyl-propanamide CAS Name: (2S)-2-[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]butylamino]-3-phenylpropanamide IUPAC Name: (2S)-2-[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]butylamino]-3-phenylpropanamide Traditional Name: (2S)-2-[4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]butylamino]-3-phenyl-propionamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NCCCCNC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NCCCCN[C@@H](CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H30N4O2/c23-21(27)19(15-17-9-3-1-4-10-17)25-13-7-8-14-26-20(22(24)28)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,25-26H,7-8,13-16H2,(H2,23,27)(H2,24,28)/t19-,20-/m0/s1