(2S)-N-(2-cyclohexylethyl)-2-[[(2S)-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-4-piperazin-1-yl-butanamide

Systemtic Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-4-piperazin-1-yl-butanamide Openeye Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-oxo-4-piperazin-1-yl-butanamide CAS Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methyl-1-imidazolyl)butyl]phenyl]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-oxo-4-(1-piperazinyl)butanamide IUPAC Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-oxo-4-piperazin-1-ylbutanamide Traditional Name: (2S)-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]-4-keto-4-piperazino-butyramide Formula: C35H53N7O5 MolecularWeight: 651.83922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)NC(CO)C(=O)NC(CC(=O)N3CCNCC3)C(=O)NCCC4CCCCC4

Isomeric SMILES

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N3CCNCC3)C(=O)NCCC4CCCCC4

InChI

InChI=1S/C35H53N7O5/c1-26-37-18-22-41(26)19-6-5-9-28-10-12-29(13-11-28)23-32(44)39-31(25-43)35(47)40-30(24-33(45)42-20-16-36-17-21-42)34(46)38-15-14-27-7-3-2-4-8-27/h10-13,18,22,27,30-31,36,43H,2-9,14-17,19-21,23-25H2,1H3,(H,38,46)(H,39,44)(H,40,47)/t30-,31-/m0/s1