N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-11-imidazol-1-yl-undecanamide

Systemtic Name: N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-11-imidazol-1-yl-undecanamide Openeye Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-11-imidazol-1-yl-undecanamide CAS Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-11-(1-imidazolyl)undecanamide IUPAC Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-11-imidazol-1-ylundecanamide Traditional Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-2-keto-1-methylol-ethyl]-11-imidazol-1-yl-undecanamide Formula: C31H56N6O4 MolecularWeight: 576.81414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCCN2C=CN=C2

Isomeric SMILES

C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN2C=CN=C2

InChI

InChI=1S/C31H56N6O4/c32-19-12-11-16-27(30(40)34-20-18-26-14-8-7-9-15-26)36-31(41)28(24-38)35-29(39)17-10-5-3-1-2-4-6-13-22-37-23-21-33-25-37/h21,23,25-28,38H,1-20,22,24,32H2,(H,34,40)(H,35,39)(H,36,41)/t27-,28-/m0/s1