(phenylmethyl) 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4O3S/c1-2-8-20(27)25-30-23(16-34-25)24(31)29-22(26(32)33-15-17-9-4-3-5-10-17)13-18-14-28-21-12-7-6-11-19(18)21/h3-7,9-12,14,16,20,22,28H,2,8,13,15,27H2,1H3,(H,29,31)