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

Systemtic Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-2-azanyl-3-(2-cyano-1H-indol-3-yl)propanoyl]amino]butanedioate Openeye Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-2-amino-3-(2-cyano-1H-indol-3-yl)propanoyl]amino]butanedioate CAS Name: (2R)-2-[[(2R)-2-amino-3-(2-cyano-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-cyano-1H-indol-3-yl)propanoyl]amino]butanedioate Traditional Name: (2R)-2-[[(2R)-2-amino-3-(2-cyano-1H-indol-3-yl)propanoyl]amino]succinic acid O1-tert-butyl ester O4-methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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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)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-21(2,3)30-20(28)16(10-18(26)29-4)25-19(27)14(23)9-13-12-7-5-6-8-15(12)24-17(13)11-22/h5-8,14,16,24H,9-10,23H2,1-4H3,(H,25,27)/t14-,16-/m1/s1