N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide Traditional Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-benzoxybenzyl)-2-keto-ethyl]butyramide Formula: C30H47N5O3 MolecularWeight: 525.72588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCNCCCCNCCCN

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCNCCCCNCCCN

InChI

InChI=1S/C30H47N5O3/c1-2-10-29(36)35-28(30(37)34-22-9-21-33-19-7-6-18-32-20-8-17-31)23-25-13-15-27(16-14-25)38-24-26-11-4-3-5-12-26/h3-5,11-16,28,32-33H,2,6-10,17-24,31H2,1H3,(H,34,37)(H,35,36)/t28-/m0/s1