methyl (3S)-3-[3-(4-azanylbutylamino)propylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[3-(4-azanylbutylamino)propylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[3-(4-aminobutylamino)propylamino]-3-phenyl-propanoate CAS Name: (3S)-3-[3-(4-aminobutylamino)propylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[3-(4-aminobutylamino)propylamino]-3-phenylpropanoate Traditional Name: (3S)-3-[3-(4-aminobutylamino)propylamino]-3-phenyl-propionic acid methyl ester Formula: C17H29N3O2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NCCCNCCCCN

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NCCCNCCCCN

InChI

InChI=1S/C17H29N3O2/c1-22-17(21)14-16(15-8-3-2-4-9-15)20-13-7-12-19-11-6-5-10-18/h2-4,8-9,16,19-20H,5-7,10-14,18H2,1H3/t16-/m0/s1