3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]pentanedioic acid Openeye Name: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]pentanedioic acid CAS Name: 3-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]pentanedioic acid Traditional Name: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]glutaric acid Formula: C28H35N3O7 MolecularWeight: 525.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC(=O)O)CC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O7/c1-28(13-19-14-29-22-5-3-2-4-21(19)22,26(36)30-20(11-23(32)33)12-24(34)35)31-27(37)38-25-17-7-15-6-16(9-17)10-18(25)8-15/h2-5,14-18,20,25,29H,6-13H2,1H3,(H,30,36)(H,31,37)(H,32,33)(H,34,35)/t15?,16?,17?,18?,25?,28-/m1/s1