(2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H34N4O4/c31-23(29-22(24(32)33)11-19-15-28-21-5-2-1-4-20(19)21)6-3-7-27-25(34)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-2,4-5,15-18,22,28H,3,6-14H2,(H,29,31)(H,32,33)(H2,27,30,34)/t16?,17?,18?,22-,26?/m0/s1