3-(1H-indol-3-yl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c1-16(2)12-21(28-25(32)33-15-17-8-4-3-5-9-17)23(29)27-22(24(30)31)13-18-14-26-20-11-7-6-10-19(18)20/h3-11,14,16,21-22,26H,12-13,15H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)