N-[(2R)-1-[(2R,5S)-5-[3-[bis(azanyl)methylideneamino]propyl]-4-[3-(2,4-dichlorophenyl)propanoyl]-2-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-[(2R,5S)-5-[3-[bis(azanyl)methylideneamino]propyl]-4-[3-(2,4-dichlorophenyl)propanoyl]-2-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]ethanamide Openeye Name: N-[(1R)-1-benzyl-2-[(2R,5S)-4-[3-(2,4-dichlorophenyl)propanoyl]-5-(3-guanidinopropyl)-2-methyl-piperazin-1-yl]-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-1-[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-4-[3-(2,4-dichlorophenyl)-1-oxopropyl]-2-methyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]acetamide IUPAC Name: N-[(2R)-1-[(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-4-[3-(2,4-dichlorophenyl)propanoyl]-2-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide Traditional Name: N-[(1R)-1-benzyl-2-[(2R,5S)-4-[3-(2,4-dichlorophenyl)propanoyl]-5-(3-guanidinopropyl)-2-methyl-piperazino]-2-keto-ethyl]acetamide Formula: C29H38Cl2N6O3 MolecularWeight: 589.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C(CC2=CC=CC=C2)NC(=O)C)CCCN=C(N)N)C(=O)CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)CCCN=C(N)N)C(=O)CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C29H38Cl2N6O3/c1-19-17-37(27(39)13-11-22-10-12-23(30)16-25(22)31)24(9-6-14-34-29(32)33)18-36(19)28(40)26(35-20(2)38)15-21-7-4-3-5-8-21/h3-5,7-8,10,12,16,19,24,26H,6,9,11,13-15,17-18H2,1-2H3,(H,35,38)(H4,32,33,34)/t19-,24+,26-/m1/s1