[1-[[1-[[5-[2-(butylcarbamoylamino)ethyl]-1-cyclohexyl-6-methyl-3-oxidanyl-heptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid

Systemtic Name: [1-[[1-[[5-[2-(butylcarbamoylamino)ethyl]-1-cyclohexyl-6-methyl-3-oxidanyl-heptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-[[2-[[4-[2-(butylcarbamoylamino)ethyl]-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamic acid CAS Name: [1-[[1-[[5-[2-[[butylamino(oxo)methyl]amino]ethyl]-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[[1-[[5-[2-(butylcarbamoylamino)ethyl]-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid Traditional Name: [1-benzyl-2-[[2-[[4-[2-(butylcarbamoylamino)ethyl]-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid Formula: C37H59N7O6 MolecularWeight: 697.90766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)O)O)C(C)C

Isomeric SMILES

CCCCNC(=O)NCCC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)O)O)C(C)C

InChI

InChI=1S/C37H59N7O6/c1-4-5-17-39-36(48)40-18-16-28(25(2)3)21-33(45)30(19-26-12-8-6-9-13-26)42-35(47)32(22-29-23-38-24-41-29)43-34(46)31(44-37(49)50)20-27-14-10-7-11-15-27/h7,10-11,14-15,23-26,28,30-33,44-45H,4-6,8-9,12-13,16-22H2,1-3H3,(H,38,41)(H,42,47)(H,43,46)(H,49,50)(H2,39,40,48)