(2S)-2-azanyl-N',N'-bis(2-azanylethyl)-N-[(2S)-1-oxidanylidene-4-phenyl-1-[(4-propoxyphenyl)methylamino]butan-2-yl]butanediamide

Systemtic Name: (2S)-2-azanyl-N',N'-bis(2-azanylethyl)-N-[(2S)-1-oxidanylidene-4-phenyl-1-[(4-propoxyphenyl)methylamino]butan-2-yl]butanediamide Openeye Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(1S)-3-phenyl-1-[(4-propoxyphenyl)methylcarbamoyl]propyl]butanediamide CAS Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-propoxyphenyl)methylamino]butan-2-yl]butanediamide IUPAC Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-propoxyphenyl)methylamino]butan-2-yl]butanediamide Traditional Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(1S)-3-phenyl-1-[(4-propoxybenzyl)carbamoyl]propyl]succinamide Formula: C28H42N6O4 MolecularWeight: 526.67088

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C(CCC2=CC=CC=C2)NC(=O)C(CC(=O)N(CCN)CCN)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N(CCN)CCN)N

InChI

InChI=1S/C28H42N6O4/c1-2-18-38-23-11-8-22(9-12-23)20-32-28(37)25(13-10-21-6-4-3-5-7-21)33-27(36)24(31)19-26(35)34(16-14-29)17-15-30/h3-9,11-12,24-25H,2,10,13-20,29-31H2,1H3,(H,32,37)(H,33,36)/t24-,25-/m0/s1