N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9-imidazol-1-yl-nonanamide

Systemtic Name: N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9-imidazol-1-yl-nonanamide Openeye Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-9-imidazol-1-yl-nonanamide CAS Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-9-(1-imidazolyl)nonanamide IUPAC Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-9-imidazol-1-ylnonanamide Traditional Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-2-keto-1-methylol-ethyl]-9-imidazol-1-yl-pelargonamide Formula: C29H52N6O4 MolecularWeight: 548.76098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCN2C=CN=C2

Isomeric SMILES

C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCN2C=CN=C2

InChI

InChI=1S/C29H52N6O4/c30-17-10-9-14-25(28(38)32-18-16-24-12-6-5-7-13-24)34-29(39)26(22-36)33-27(37)15-8-3-1-2-4-11-20-35-21-19-31-23-35/h19,21,23-26,36H,1-18,20,22,30H2,(H,32,38)(H,33,37)(H,34,39)/t25-,26-/m0/s1