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

Systemtic Name: (2R)-2-azanyl-1-[(2S,5R)-4-[(2R)-2-azanyl-3-(2,4-dichlorophenyl)propanoyl]-2-[3-(2-azanylethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one Openeye Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one CAS Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)-1-oxopropyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)-1-piperazinyl]-3-(2,4-dichlorophenyl)-1-propanone IUPAC Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one Traditional Name: (2R)-2-amino-1-[(2S,5R)-4-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-2-[3-(2-aminoethylamino)propyl]-5-(cyclohexylmethyl)piperazino]-3-(2,4-dichlorophenyl)propan-1-one Formula: C34H48Cl4N6O2 MolecularWeight: 714.59592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2CN(C(CN2C(=O)C(CC3=C(C=C(C=C3)Cl)Cl)N)CCCNCCN)C(=O)C(CC4=C(C=C(C=C4)Cl)Cl)N

Isomeric SMILES

C1CCC(CC1)C[C@@H]2CN([C@H](CN2C(=O)[C@@H](CC3=C(C=C(C=C3)Cl)Cl)N)CCCNCCN)C(=O)[C@@H](CC4=C(C=C(C=C4)Cl)Cl)N

InChI

InChI=1S/C34H48Cl4N6O2/c35-25-10-8-23(29(37)18-25)16-31(40)33(45)43-21-28(15-22-5-2-1-3-6-22)44(20-27(43)7-4-13-42-14-12-39)34(46)32(41)17-24-9-11-26(36)19-30(24)38/h8-11,18-19,22,27-28,31-32,42H,1-7,12-17,20-21,39-41H2/t27-,28+,31+,32+/m0/s1