(2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid (Q27466441)

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

19 October 2016

chemical formula

C₂₄H₃₁N₂O₇P

1 reference

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

19 October 2016

canonical SMILES

CC(NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C)P(=O)(CC(CCC2=CC=CC=C2)C(=O)O)O

1 reference

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

19 October 2016

isomeric SMILES

C[C@H](NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C)P(=O)(C[C@@H](CCC2=CC=CC=C2)C(=O)O)O

1 reference

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

WUDUKXMVLMXYCW-ZNLUXHQJSA-N

19 October 2016

InChIKey

1 reference

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

19 October 2016

2 references

(2s)-2-{[(S)-{(1r)-1-[(N-Acetyl-L-Tyrosyl)amino]ethyl}(Hydroxy)phosphoryl]methyl}-4-Phenylbutanoic Acid (English)

matched by identifier from

19 October 2016

InChIKey

WUDUKXMVLMXYCW-ZNLUXHQJSA-N

1 reference

0 references

1 reference

4UEF (English)