methyl (2S)-2-[[(2S,3S)-2-(2-bromanylethanoylamino)-3-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3S)-2-(2-bromanylethanoylamino)-3-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S,3S)-2-[(2-bromoacetyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3S)-2-[(2-bromo-1-oxoethyl)amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3S)-2-[(2-bromoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3S)-2-[(2-bromoacetyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)CBr

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)CBr

InChI

InChI=1S/C18H25BrN2O4/c1-4-12(2)16(21-15(22)11-19)17(23)20-14(18(24)25-3)10-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3,(H,20,23)(H,21,22)/t12-,14-,16-/m0/s1