2-[2-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-ethyl-amino]ethyl-[1-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-(3-phenylmethoxypropyl)amino]-3-phenylmethoxy-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[2-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-ethyl-amino]ethyl-[1-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-(3-phenylmethoxypropyl)amino]-3-phenylmethoxy-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[1-(benzyloxymethyl)-2-[3-benzyloxypropyl-(1-carbamoyl-4-hydroxy-cyclohexyl)amino]ethyl]-[2-[(1-carbamoyl-4-hydroxy-cyclohexyl)-ethyl-amino]ethyl]amino]acetic acid CAS Name: 2-[2-[(1-carbamoyl-4-hydroxycyclohexyl)-ethylamino]ethyl-[1-[(1-carbamoyl-4-hydroxycyclohexyl)-(3-phenylmethoxypropyl)amino]-3-phenylmethoxypropan-2-yl]amino]acetic acid IUPAC Name: 2-[2-[(1-carbamoyl-4-hydroxycyclohexyl)-ethylamino]ethyl-[1-[(1-carbamoyl-4-hydroxycyclohexyl)-(3-phenylmethoxypropyl)amino]-3-phenylmethoxypropan-2-yl]amino]acetic acid Traditional Name: 2-[[1-(benzoxymethyl)-2-[3-benzoxypropyl-(1-carbamoyl-4-hydroxy-cyclohexyl)amino]ethyl]-[2-[(1-carbamoyl-4-hydroxy-cyclohexyl)-ethyl-amino]ethyl]amino]acetic acid Formula: C40H61N5O8 MolecularWeight: 739.94104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(CC(=O)O)C(CN(CCCOCC1=CC=CC=C1)C2(CCC(CC2)O)C(=O)N)COCC3=CC=CC=C3)C4(CCC(CC4)O)C(=O)N

Isomeric SMILES

CCN(CCN(CC(=O)O)C(CN(CCCOCC1=CC=CC=C1)C2(CCC(CC2)O)C(=O)N)COCC3=CC=CC=C3)C4(CCC(CC4)O)C(=O)N

InChI

InChI=1S/C40H61N5O8/c1-2-44(39(37(41)50)18-14-34(46)15-19-39)24-23-43(27-36(48)49)33(30-53-29-32-12-7-4-8-13-32)26-45(40(38(42)51)20-16-35(47)17-21-40)22-9-25-52-28-31-10-5-3-6-11-31/h3-8,10-13,33-35,46-47H,2,9,14-30H2,1H3,(H2,41,50)(H2,42,51)(H,48,49)