O1-tert-butyl O4-methyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]butanedioate

Systemtic Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-2-azanyl-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]butanedioate Openeye Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]butanedioate CAS Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)-1-oxopropyl]amino]butanedioic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]butanedioate Traditional Name: (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]succinic acid O1-tert-butyl ester O4-methyl ester Formula: C20H26BrN3O5 MolecularWeight: 468.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O5/c1-20(2,3)29-19(27)15(10-16(25)28-4)24-18(26)13(22)9-12-11-7-5-6-8-14(11)23-17(12)21/h5-8,13,15,23H,9-10,22H2,1-4H3,(H,24,26)/t13-,15-/m1/s1