(2S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-(4-phosphonooxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-(4-phosphonooxyphenyl)propanoic acid Openeye Name: (2S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-(4-phosphonooxyphenyl)propanoic acid CAS Name: (2S)-2-[5-[(1-oxo-4-phenylbutyl)amino]pentylamino]-3-(4-phosphonooxyphenyl)propanoic acid IUPAC Name: (2S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-(4-phosphonooxyphenyl)propanoic acid Traditional Name: (2S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-(4-phosphonooxyphenyl)propionic acid Formula: C24H33N2O7P MolecularWeight: 492.501781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCCCNC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCCCCN[C@@H](CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C24H33N2O7P/c27-23(11-7-10-19-8-3-1-4-9-19)26-17-6-2-5-16-25-22(24(28)29)18-20-12-14-21(15-13-20)33-34(30,31)32/h1,3-4,8-9,12-15,22,25H,2,5-7,10-11,16-18H2,(H,26,27)(H,28,29)(H2,30,31,32)/t22-/m0/s1