N-[(2S)-1-[2-(2-azanylethoxy)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(3-azanylpropylamino)butanamide

Systemtic Name: N-[(2S)-1-[2-(2-azanylethoxy)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(3-azanylpropylamino)butanamide Openeye Name: N-[(1S)-2-[2-(2-aminoethoxy)ethylamino]-1-benzyl-2-oxo-ethyl]-4-(3-aminopropylamino)butanamide CAS Name: N-[(2S)-1-[2-(2-aminoethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-(3-aminopropylamino)butanamide IUPAC Name: N-[(2S)-1-[2-(2-aminoethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-(3-aminopropylamino)butanamide Traditional Name: N-[(1S)-2-[2-(2-aminoethoxy)ethylamino]-1-benzyl-2-keto-ethyl]-4-(3-aminopropylamino)butyramide Formula: C20H35N5O3 MolecularWeight: 393.5236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCOCCN)NC(=O)CCCNCCCN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCOCCN)NC(=O)CCCNCCCN

InChI

InChI=1S/C20H35N5O3/c21-9-5-12-23-11-4-8-19(26)25-18(16-17-6-2-1-3-7-17)20(27)24-13-15-28-14-10-22/h1-3,6-7,18,23H,4-5,8-16,21-22H2,(H,24,27)(H,25,26)/t18-/m0/s1