2-[bis[2-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-ethyl-amino]-3-oxidanyl-propyl]amino]ethanoic acid

Systemtic Name: 2-[bis[2-[(1-aminocarbonyl-4-oxidanyl-cyclohexyl)-ethyl-amino]-3-oxidanyl-propyl]amino]ethanoic acid Openeye Name: 2-[bis[2-[(1-carbamoyl-4-hydroxy-cyclohexyl)-ethyl-amino]-3-hydroxy-propyl]amino]acetic acid CAS Name: 2-[bis[2-[(1-carbamoyl-4-hydroxycyclohexyl)-ethylamino]-3-hydroxypropyl]amino]acetic acid IUPAC Name: 2-[bis[2-[(1-carbamoyl-4-hydroxycyclohexyl)-ethylamino]-3-hydroxypropyl]amino]acetic acid Traditional Name: 2-[bis[2-[(1-carbamoyl-4-hydroxy-cyclohexyl)-ethyl-amino]-3-hydroxy-propyl]amino]acetic acid Formula: C26H49N5O8 MolecularWeight: 559.69596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CN(CC(CO)N(CC)C1(CCC(CC1)O)C(=O)N)CC(=O)O)CO)C2(CCC(CC2)O)C(=O)N

Isomeric SMILES

CCN(C(CN(CC(CO)N(CC)C1(CCC(CC1)O)C(=O)N)CC(=O)O)CO)C2(CCC(CC2)O)C(=O)N

InChI

InChI=1S/C26H49N5O8/c1-3-30(25(23(27)38)9-5-20(34)6-10-25)18(16-32)13-29(15-22(36)37)14-19(17-33)31(4-2)26(24(28)39)11-7-21(35)8-12-26/h18-21,32-35H,3-17H2,1-2H3,(H2,27,38)(H2,28,39)(H,36,37)