(E)-5-azanyl-N-[(2S)-1-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]-N,5-dimethyl-hex-2-enamide

Systemtic Name: (E)-5-azanyl-N-[(2S)-1-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]-N,5-dimethyl-hex-2-enamide Openeye Name: (E)-5-amino-N-[(1S)-2-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]-methyl-amino]-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]-N,5-dimethyl-hex-2-enamide CAS Name: (E)-5-amino-N-[(2S)-1-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-N,5-dimethyl-2-hexenamide IUPAC Name: (E)-5-amino-N-[(2S)-1-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-N,5-dimethylhex-2-enamide Traditional Name: (E)-5-amino-N-[(1S)-2-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]-methyl-amino]-2-keto-1-(4-phenylbenzyl)ethyl]-N,5-dimethyl-hex-2-enamide Formula: C37H49N5O3 MolecularWeight: 611.81666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=CC(=O)N(C)C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NCCCCN)N

Isomeric SMILES

CC(C)(C/C=C/C(=O)N(C)[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)NCCCCN)N

InChI

InChI=1S/C37H49N5O3/c1-37(2,39)23-13-18-34(43)41(3)33(27-29-19-21-31(22-20-29)30-16-9-6-10-17-30)36(45)42(4)32(26-28-14-7-5-8-15-28)35(44)40-25-12-11-24-38/h5-10,13-22,32-33H,11-12,23-27,38-39H2,1-4H3,(H,40,44)/b18-13+/t32-,33-/m0/s1