(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoyl]amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]butyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoyl]amino]propionic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CC4=CC=CC=C4CN3

InChI

InChI=1S/C26H30N4O4/c1-15(2)23(30-24(31)21-11-16-7-3-4-8-17(16)13-28-21)25(32)29-22(26(33)34)12-18-14-27-20-10-6-5-9-19(18)20/h3-10,14-15,21-23,27-28H,11-13H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t21?,22-,23-/m0/s1