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

Systemtic Name: (2S)-2-azanyl-N',N'-bis(2-azanylethyl)-N-[(2S)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]-1-oxidanylidene-4-phenyl-butan-2-yl]butanediamide Openeye Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(1S)-1-[(4-tert-butoxyphenyl)methylcarbamoyl]-3-phenyl-propyl]butanediamide CAS Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide IUPAC Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide Traditional Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(1S)-1-[(4-tert-butoxybenzyl)carbamoyl]-3-phenyl-propyl]succinamide Formula: C29H44N6O4 MolecularWeight: 540.69746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CNC(=O)C(CCC2=CC=CC=C2)NC(=O)C(CC(=O)N(CCN)CCN)N

Isomeric SMILES

CC(C)(C)OC1=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/C29H44N6O4/c1-29(2,3)39-23-12-9-22(10-13-23)20-33-28(38)25(14-11-21-7-5-4-6-8-21)34-27(37)24(32)19-26(36)35(17-15-30)18-16-31/h4-10,12-13,24-25H,11,14-20,30-32H2,1-3H3,(H,33,38)(H,34,37)/t24-,25-/m0/s1