(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenyl-propionic acid Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H37N3O4/c30-23(28-22(24(31)32)14-18-7-3-1-4-8-18)9-5-2-6-10-27-25(33)29-26-15-19-11-20(16-26)13-21(12-19)17-26/h1,3-4,7-8,19-22H,2,5-6,9-17H2,(H,28,30)(H,31,32)(H2,27,29,33)/t19?,20?,21?,22-,26?/m0/s1