methyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]hexanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]hexanoate Openeye Name: methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoate CAS Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoate Traditional Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoic acid methyl ester Formula: C18H24BrN3O3 MolecularWeight: 410.30546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C(CC1=C(NC2=CC=CC=C21)Br)N

Isomeric SMILES

CCCC[C@H](C(=O)OC)NC(=O)[C@@H](CC1=C(NC2=CC=CC=C21)Br)N

InChI

InChI=1S/C18H24BrN3O3/c1-3-4-8-15(18(24)25-2)22-17(23)13(20)10-12-11-7-5-6-9-14(11)21-16(12)19/h5-7,9,13,15,21H,3-4,8,10,20H2,1-2H3,(H,22,23)/t13-,15-/m1/s1