(2R)-2-azanyl-1-[(2S)-5-[[(2R)-1-[(2R)-2-azanyl-3-(2,4-dimethylphenyl)propanoyl]piperazin-2-yl]methyl]-2-[3-(2-azanylethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)propan-1-one

Systemtic Name: (2R)-2-azanyl-1-[(2S)-5-[[(2R)-1-[(2R)-2-azanyl-3-(2,4-dimethylphenyl)propanoyl]piperazin-2-yl]methyl]-2-[3-(2-azanylethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)propan-1-one Openeye Name: (2R)-2-amino-1-[(2S)-5-[[(2R)-1-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]piperazin-2-yl]methyl]-2-[3-(2-aminoethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)propan-1-one CAS Name: (2R)-2-amino-1-[(2S)-5-[[(2R)-1-[(2R)-2-amino-3-(2,4-dimethylphenyl)-1-oxopropyl]-2-piperazinyl]methyl]-2-[3-(2-aminoethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)-1-propanone IUPAC Name: (2R)-2-amino-1-[(2S)-5-[[(2R)-1-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]piperazin-2-yl]methyl]-2-[3-(2-aminoethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)propan-1-one Traditional Name: (2R)-2-amino-1-[(2S)-5-[[(2R)-1-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]piperazin-2-yl]methyl]-2-[3-(2-aminoethylamino)propyl]cyclohexyl]-3-(2,4-dimethylphenyl)propan-1-one Formula: C38H60N6O2 MolecularWeight: 632.922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(C(=O)C2CC(CCC2CCCNCCN)CC3CNCCN3C(=O)C(CC4=C(C=C(C=C4)C)C)N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[C@H](C(=O)C2CC(CC[C@H]2CCCNCCN)C[C@@H]3CNCCN3C(=O)[C@@H](CC4=C(C=C(C=C4)C)C)N)N)C

InChI

InChI=1S/C38H60N6O2/c1-25-7-10-31(27(3)18-25)22-35(40)37(45)34-21-29(9-12-30(34)6-5-14-42-15-13-39)20-33-24-43-16-17-44(33)38(46)36(41)23-32-11-8-26(2)19-28(32)4/h7-8,10-11,18-19,29-30,33-36,42-43H,5-6,9,12-17,20-24,39-41H2,1-4H3/t29?,30-,33-,34?,35-,36-/m1/s1