2-[[[(3R,5R)-3-azanyl-6-(4-methylpentylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[[(3R,5R)-3-azanyl-6-(4-methylpentylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid Openeye Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(isohexylamino)hexanoyl]amino]-methyl-amino]acetic acid CAS Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(4-methylpentylamino)-1-oxohexyl]amino]-methylamino]acetic acid IUPAC Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(4-methylpentylamino)hexanoyl]amino]-methylamino]acetic acid Traditional Name: 2-[[[(3R,5R)-3-amino-5-hydroxy-6-(isohexylamino)hexanoyl]amino]-methyl-amino]acetic acid Formula: C15H32N4O4 MolecularWeight: 332.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNCC(CC(CC(=O)NN(C)CC(=O)O)N)O

Isomeric SMILES

CC(C)CCCNC[C@@H](C[C@H](CC(=O)NN(C)CC(=O)O)N)O

InChI

InChI=1S/C15H32N4O4/c1-11(2)5-4-6-17-9-13(20)7-12(16)8-14(21)18-19(3)10-15(22)23/h11-13,17,20H,4-10,16H2,1-3H3,(H,18,21)(H,22,23)/t12-,13-/m1/s1