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

Systemtic Name: (2R)-2-azanyl-1-[(2S,5R)-4-[(2R)-2-azanyl-3-(2,4-dimethylphenyl)propanoyl]-2-[3-(2-azanylethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Openeye Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one CAS Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dimethylphenyl)-1-oxopropyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)-1-piperazinyl]-3-(2,4-dimethylphenyl)-1-propanone IUPAC Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Traditional Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dimethylphenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazino]-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)N2CC(N(CC2CCCNCCN)C(=O)C(CC3=C(C=C(C=C3)C)C)N)CC4CCCCC4)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[C@H](C(=O)N2C[C@H](N(C[C@@H]2CCCNCCN)C(=O)[C@@H](CC3=C(C=C(C=C3)C)C)N)CC4CCCCC4)N)C

InChI

InChI=1S/C38H60N6O2/c1-26-12-14-31(28(3)19-26)22-35(40)37(45)43-25-34(21-30-9-6-5-7-10-30)44(24-33(43)11-8-17-42-18-16-39)38(46)36(41)23-32-15-13-27(2)20-29(32)4/h12-15,19-20,30,33-36,42H,5-11,16-18,21-25,39-41H2,1-4H3/t33-,34+,35+,36+/m0/s1