(2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]-3-methyl-2-(propan-2-ylcarbamoylamino)pentanamide

Systemtic Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]-3-methyl-2-(propan-2-ylcarbamoylamino)pentanamide Openeye Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-2-(isopropylcarbamoylamino)-3-methyl-pentanamide CAS Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-[[oxo-(propan-2-ylamino)methyl]amino]pentanamide IUPAC Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-(propan-2-ylcarbamoylamino)pentanamide Traditional Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-2-(isopropylcarbamoylamino)-3-methyl-valeramide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C=O)NC(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-5-14(4)19(25-21(28)23-13(2)3)20(27)24-16(12-26)10-15-11-22-18-9-7-6-8-17(15)18/h6-9,11-14,16,19,22H,5,10H2,1-4H3,(H,24,27)(H2,23,25,28)/t14?,16-,19+/m1/s1