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

Systemtic Name: (phenylmethyl) 2-[[2-(1-azanylpentyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminopentyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1-aminopentyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S/c1-2-3-12-21(28)26-31-24(17-35-26)25(32)30-23(27(33)34-16-18-9-5-4-6-10-18)14-19-15-29-22-13-8-7-11-20(19)22/h4-11,13,15,17,21,23,29H,2-3,12,14,16,28H2,1H3,(H,30,32)