(2S,3S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-phosphonooxy-butanoic acid

Systemtic Name: (2S,3S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-phosphonooxy-butanoic acid Openeye Name: (2S,3S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-phosphonooxy-butanoic acid CAS Name: (2S,3S)-2-[5-[(1-oxo-4-phenylbutyl)amino]pentylamino]-3-phosphonooxybutanoic acid IUPAC Name: (2S,3S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-phosphonooxybutanoic acid Traditional Name: (2S,3S)-2-[5-(4-phenylbutanoylamino)pentylamino]-3-phosphonooxy-butyric acid Formula: C19H31N2O7P MolecularWeight: 430.432401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCCCCCNC(=O)CCCC1=CC=CC=C1)OP(=O)(O)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)O)NCCCCCNC(=O)CCCC1=CC=CC=C1)OP(=O)(O)O

InChI

InChI=1S/C19H31N2O7P/c1-15(28-29(25,26)27)18(19(23)24)21-14-7-3-6-13-20-17(22)12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,15,18,21H,3,6-8,11-14H2,1H3,(H,20,22)(H,23,24)(H2,25,26,27)/t15-,18-/m0/s1