(2S)-4-(1H-indol-3-yl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]butanoic acid

Systemtic Name: (2S)-4-(1H-indol-3-yl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]butanoic acid Openeye Name: (2S)-4-(1H-indol-3-yl)-2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]carbamoylamino]butanoic acid CAS Name: (2S)-4-(1H-indol-3-yl)-2-[[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-4-(1H-indol-3-yl)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]butanoic acid Traditional Name: (2S)-2-[[(1S)-1-carbomethoxy-3-methyl-butyl]carbamoylamino]-4-(1H-indol-3-yl)butyric acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NC(CCC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)N[C@@H](CCC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C20H27N3O5/c1-12(2)10-17(19(26)28-3)23-20(27)22-16(18(24)25)9-8-13-11-21-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,21H,8-10H2,1-3H3,(H,24,25)(H2,22,23,27)/t16-,17-/m0/s1