O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine (Q27452743)

CHEMBL473851 (English)

19 October 2016

chemical formula

C₂₉H₃₅N₃O₅

1 reference

CHEMBL473851 (English)

19 October 2016

canonical SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC(C(C)OC(C)(C)C)C(=O)O)C

1 reference

CHEMBL473851 (English)

19 October 2016

isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C

1 reference

CHEMBL473851 (English)

InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL473851 (English)

SIVVDUDKHBTSKI-CLOONOSVSA-N

19 October 2016

InChIKey

1 reference

CHEMBL473851 (English)

19 October 2016

1 reference

N-{3-[(Mesitylcarbamoyl)amino]-2-naphthoyl}-O-(2-methyl-2-propanyl)-L-threonine (English)

19 October 2016

1 reference

CHEMBL473851 (English)

19 October 2016

1 reference

CHEMBL473851 (English)

19 October 2016

1 reference

0 references

1 reference

3DDS (English)