(Q27462477)

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

19 October 2016

chemical formula

C₂₆H₃₅N₂O₆P

1 reference

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

19 October 2016

canonical SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)P(=O)(CC(CC2=CC=CC=C2)C(=O)O)O)NC(=O)C

1 reference

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

19 October 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)P(=O)(C[C@@H](CC2=CC=CC=C2)C(=O)O)O)NC(=O)C

1 reference

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

GRMCSCYPDCPNRA-TZRRMPRUSA-N

19 October 2016

InChIKey

1 reference

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

19 October 2016

2 references

(2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid (English)

matched by identifier from

19 October 2016

InChIKey

GRMCSCYPDCPNRA-TZRRMPRUSA-N

1 reference

0 references

1 reference

4UEZ (English)