4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoate

Systemtic Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoate Openeye Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoate CAS Name: 4-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoate Traditional Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butyrate Formula: C27H34N3O5- MolecularWeight: 480.57596

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCCC(=O)[O-])NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCCC(=O)[O-])NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H35N3O5/c1-27(25(33)28-8-4-7-23(31)32,14-20-15-29-22-6-3-2-5-21(20)22)30-26(34)35-24-18-10-16-9-17(12-18)13-19(24)11-16/h2-3,5-6,15-19,24,29H,4,7-14H2,1H3,(H,28,33)(H,30,34)(H,31,32)/p-1