dimethyl (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanedioate CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanedioate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]adipic acid dimethyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

COC(=O)CCC[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C19H25N3O5/c1-26-17(23)9-5-8-16(19(25)27-2)22-18(24)14(20)10-12-11-21-15-7-4-3-6-13(12)15/h3-4,6-7,11,14,16,21H,5,8-10,20H2,1-2H3,(H,22,24)/t14-,16-/m0/s1