(2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[4-(1-adamantylcarbamoylamino)butanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O5/c28-19-5-3-15(4-6-19)11-20(22(30)31)26-21(29)2-1-7-25-23(32)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,20,28H,1-2,7-14H2,(H,26,29)(H,30,31)(H2,25,27,32)/t16?,17?,18?,20-,24?/m0/s1