methyl 2-[[4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C20H30BrN3O4 MolecularWeight: 456.3739

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)NC(CO)C(=O)OC)Br)N

Isomeric SMILES

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)NC(CO)C(=O)OC)Br)N

InChI

InChI=1S/C20H30BrN3O4/c1-3-20(7-5-4-6-8-20)23-11-14-9-13(10-15(21)17(14)22)18(26)24-16(12-25)19(27)28-2/h9-10,16,23,25H,3-8,11-12,22H2,1-2H3,(H,24,26)