(3S)-5-bromanyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-bromanyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-bromo-4-oxo-pentanoic acid CAS Name: (3S)-5-bromo-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-bromo-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-bromo-4-keto-valeric acid Formula: C18H23BrN2O6 MolecularWeight: 443.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CBr)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H23BrN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13-,16-/m0/s1