[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5/c1-10(2)16(17(25)23-19(20)27)28-18(26)15(22-11(3)24)8-12-9-21-14-7-5-4-6-13(12)14/h4-7,9-10,15-16,21H,8H2,1-3H3,(H,22,24)(H3,20,23,25,27)/t15-,16-/m0/s1